(2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride

C169H275Cl4N23O25 — CID 157383737

IUPAC(2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride
SMILESC.C.C.C.C1CCOC1.C1CCOC1.CC.CCCC[C@@H](N)CCC(C)=O.CCCC[C@@H](N)CO.CCCC[C@H](CCC(C)=O)NC(=O)OC(C)(C)C.CCCC[C@H](CCC(C)=O)Nc1nc(Cl)nc2ccccc12.CCCC[C@H](CCC(C)=O)Nc1nc(N)nc2ccccc12.CCCC[C@H](CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2ccccc12.CCCC[C@H](CN)NC(=O)OC(C)(C)C.CCCC[C@H](CN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C.CCCC[C@H](CO)NC(=O)OC(C)(C)C.COc1ccc(CN)c(OC)c1.Cl.Clc1nc(Cl)c2ccccc2n1.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C26H34N4O3.C19H26N2O4.C17H22ClN3O.C17H24N4O.C14H27NO3.C11H24N2O2.C11H23NO3.C9H13NO2.C9H19NO.C8H4Cl2N2.C8H5NO2.C6H15NO.2C4H8O.C2H6.4CH4.ClH/c1-5-6-9-20(14-12-18(2)31)28-25-22-10-7-8-11-23(22)29-26(30-25)27-17-19-13-15-21(32-3)16-24(19)33-4;1-5-6-9-13(20-18(24)25-19(2,3)4)12-21-16(22)14-10-7-8-11-15(14)17(21)23;2*1-3-4-7-13(11-10-12(2)22)19-16-14-8-5-6-9-15(14)20-17(18)21-16;1-6-7-8-12(10-9-11(2)16)15-13(17)18-14(3,4)5;1-5-6-7-9(8-12)13-10(14)15-11(2,3)4;1-5-6-7-9(8-13)12-10(14)15-11(2,3)4;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-4-5-9(10)7-6-8(2)11;9-7-5-3-1-2-4-6(5)11-8(10)12-7;10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-3-4-6(7)5-8;2*1-2-4-5-3-1;1-2;;;;;/h7-8,10-11,13,15-16,20H,5-6,9,12,14,17H2,1-4H3,(H2,27,28,29,30);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,24);5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,19,20,21);5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H3,18,19,20,21);12H,6-10H2,1-5H3,(H,15,17);9H,5-8,12H2,1-4H3,(H,13,14);9,13H,5-8H2,1-4H3,(H,12,14);3-5H,6,10H2,1-2H3;9H,3-7,10H2,1-2H3;1-4H;1-4H,(H,9,10,11);6,8H,2-5,7H2,1H3;2*1-4H2;1-2H3;4*1H4;1H/t20-;3*13-;12-;2*9-;;9-;;;6-;;;;;;;;/m1111111.1..1......../s1
InChIKeyIPDNPKUNGYRCLJ-CAYUGCFISA-N
MW3171.01 g/mol
LogP37.29
Rot. Bonds65

About (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride

(2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride (PubChem CID 157383737) has the molecular formula C169H275Cl4N23O25 and a molecular weight of 3171.01 g/mol. Its IUPAC name is (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride.

Molecular Properties

Compound Name(2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride
PubChem CID157383737
Molecular FormulaC169H275Cl4N23O25
Molecular Weight3171.01 g/mol
Exact Mass3166.97
IUPAC Name(2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride
SMILESC.C.C.C.C1CCOC1.C1CCOC1.CC.CCCC[C@@H](N)CCC(C)=O.CCCC[C@@H](N)CO.CCCC[C@H](CCC(C)=O)NC(=O)OC(C)(C)C.CCCC[C@H](CCC(C)=O)Nc1nc(Cl)nc2ccccc12.CCCC[C@H](CCC(C)=O)Nc1nc(N)nc2ccccc12.CCCC[C@H](CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2ccccc12.CCCC[C@H](CN)NC(=O)OC(C)(C)C.CCCC[C@H](CN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C.CCCC[C@H](CO)NC(=O)OC(C)(C)C.COc1ccc(CN)c(OC)c1.Cl.Clc1nc(Cl)c2ccccc2n1.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C26H34N4O3.C19H26N2O4.C17H22ClN3O.C17H24N4O.C14H27NO3.C11H24N2O2.C11H23NO3.C9H13NO2.C9H19NO.C8H4Cl2N2.C8H5NO2.C6H15NO.2C4H8O.C2H6.4CH4.ClH/c1-5-6-9-20(14-12-18(2)31)28-25-22-10-7-8-11-23(22)29-26(30-25)27-17-19-13-15-21(32-3)16-24(19)33-4;1-5-6-9-13(20-18(24)25-19(2,3)4)12-21-16(22)14-10-7-8-11-15(14)17(21)23;2*1-3-4-7-13(11-10-12(2)22)19-16-14-8-5-6-9-15(14)20-17(18)21-16;1-6-7-8-12(10-9-11(2)16)15-13(17)18-14(3,4)5;1-5-6-7-9(8-12)13-10(14)15-11(2,3)4;1-5-6-7-9(8-13)12-10(14)15-11(2,3)4;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-4-5-9(10)7-6-8(2)11;9-7-5-3-1-2-4-6(5)11-8(10)12-7;10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-3-4-6(7)5-8;2*1-2-4-5-3-1;1-2;;;;;/h7-8,10-11,13,15-16,20H,5-6,9,12,14,17H2,1-4H3,(H2,27,28,29,30);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,24);5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,19,20,21);5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H3,18,19,20,21);12H,6-10H2,1-5H3,(H,15,17);9H,5-8,12H2,1-4H3,(H,13,14);9,13H,5-8H2,1-4H3,(H,12,14);3-5H,6,10H2,1-2H3;9H,3-7,10H2,1-2H3;1-4H;1-4H,(H,9,10,11);6,8H,2-5,7H2,1H3;2*1-4H2;1-2H3;4*1H4;1H/t20-;3*13-;12-;2*9-;;9-;;;6-;;;;;;;;/m1111111.1..1......../s1
InChIKeyIPDNPKUNGYRCLJ-CAYUGCFISA-N
XLogP37.29
TPSA699.40 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds65
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003171.01
LogP ≤ 537.29
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one;2,4-dichloro-7-fluoropyrido[3,2-d]pyrimidine;(2,4-dimethoxyphenyl)methanamine;isoindole-1,3-dione;oxolane
CID 157246477
(5R)-5-amino-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;methane;oxolane;hydrochloride
CID 157428487
(3R)-3-amino-1-fluoroheptan-2-ol;4-N-[(3R)-2-amino-1-fluoroheptan-3-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-yl]isoindole-1,3-dione;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-4-(fluoromethyl)nonan-2-one;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol;methane;molecular hydrogen;oxolane
CID 157968724
4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-[(2R)-2-aminohexyl]isoindole-1,3-dione);tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride
CID 159292743
(2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride
CID 159991418
tert-butyl (2S,4R)-2-(acetamidomethyl)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4R)-2-(aminomethyl)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]methyl]-2-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;N-[[(2S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]methyl]-1-prop-2-enoylpyrrolidin-2-yl]methyl]acetamide;N-[[(2S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]methyl]pyrrolidin-2-yl]methyl]acetamide
CID 161224681
(3R)-3-amino-1-fluoroheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;diazene;2,4-dichloropyrido[3,2-d]pyrimidine;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1-fluoroheptan-2-ol;2-[(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]heptan-2-yl]isoindole-1,3-dione;ethanol;(3R)-1-fluoro-3-methylheptan-2-ol
CID 167595294
4-N-(1-aminohexan-2-yl)-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-(1-aminohexan-2-yl)pyrido[3,2-d]pyrimidine-2,4-diamine;bis(2-(2-aminohexyl)isoindole-1,3-dione);tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;chloro(diazenyl)diazene;2,4-dichloropyrido[3,2-d]pyrimidine;dihydrochloride
CID 167610867

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride?
The IUPAC name of (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride (CID 157383737) is (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride.
What is the SMILES notation for (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride?
The canonical SMILES for (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride is C.C.C.C.C1CCOC1.C1CCOC1.CC.CCCC[C@@H](N)CCC(C)=O.CCCC[C@@H](N)CO.CCCC[C@H](CCC(C)=O)NC(=O)OC(C)(C)C.CCCC[C@H](CCC(C)=O)Nc1nc(Cl)nc2ccccc12.CCCC[C@H](CCC(C)=O)Nc1nc(N)nc2ccccc12.CCCC[C@H](CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2ccccc12.CCCC[C@H](CN)NC(=O)OC(C)(C)C.CCCC[C@H](CN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C.CCCC[C@H](CO)NC(=O)OC(C)(C)C.COc1ccc(CN)c(OC)c1.Cl.Clc1nc(Cl)c2ccccc2n1.O=C1NC(=O)c2ccccc21.
What is the InChIKey of (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride?
The InChIKey is IPDNPKUNGYRCLJ-CAYUGCFISA-N. The full InChI is InChI=1S/C26H34N4O3.C19H26N2O4.C17H22ClN3O.C17H24N4O.C14H27NO3.C11H24N2O2.C11H23NO3.C9H13NO2.C9H19NO.C8H4Cl2N2.C8H5NO2.C6H15NO.2C4H8O.C2H6.4CH4.ClH/c1-5-6-9-20(14-12-18(2)31)28-25-22-10-7-8-11-23(22)29-26(30-25)27-17-19-13-15-21(32-3)16-24(19)33-4;1-5-6-9-13(20-18(24)25-19(2,3)4)12-21-16(22)14-10-7-8-11-15(14)17(21)23;2*1-3-4-7-13(11-10-12(2)22)19-16-14-8-5-6-9-15(14)20-17(18)21-16;1-6-7-8-12(10-9-11(2)16)15-13(17)18-14(3,4)5;1-5-6-7-9(8-12)13-10(14)15-11(2,3)4;1-5-6-7-9(8-13)12-10(14)15-11(2,3)4;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-4-5-9(10)7-6-8(2)11;9-7-5-3-1-2-4-6(5)11-8(10)12-7;10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-3-4-6(7)5-8;2*1-2-4-5-3-1;1-2;;;;;/h7-8,10-11,13,15-16,20H,5-6,9,12,14,17H2,1-4H3,(H2,27,28,29,30);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,24);5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,19,20,21);5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H3,18,19,20,21);12H,6-10H2,1-5H3,(H,15,17);9H,5-8,12H2,1-4H3,(H,13,14);9,13H,5-8H2,1-4H3,(H,12,14);3-5H,6,10H2,1-2H3;9H,3-7,10H2,1-2H3;1-4H;1-4H,(H,9,10,11);6,8H,2-5,7H2,1H3;2*1-4H2;1-2H3;4*1H4;1H/t20-;3*13-;12-;2*9-;;9-;;;6-;;;;;;;;/m1111111.1..1......../s1.
What are the key properties of (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride?
(2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride has a molecular weight of 3171.01 g/mol, XLogP of 37.29, 65 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminohexan-1-ol;(5R)-5-aminononan-2-one;(5R)-5-[(2-aminoquinazolin-4-yl)amino]nonan-2-one;tert-butyl N-[(2R)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)hexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxyhexan-2-yl]carbamate;tert-butyl N-[(5R)-2-oxononan-5-yl]carbamate;(5R)-5-[(2-chloroquinazolin-4-yl)amino]nonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one;ethane;isoindole-1,3-dione;methane;oxolane;hydrochloride is sourced from PubChem (CID 157383737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).