tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid

C130H163Cl2F3N30O24S — CID 158024560

IUPACtert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC(=NS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C.CCCN.CCCNc1c(C(=O)OCC)cnc2ccccc12.CCOC(=O)c1cnc2ccccc2c1Cl.CCOC(=O)c1cnc2ccccc2c1NCCN.CCOC(=O)c1cnc2ccccc2c1NCCN.CCOC(=O)c1cnc2ccccc2c1NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.Clc1ncccn1.NC(N)=NCCNc1c(CC(=O)O)cnc2ccccc12.O=C(O)Cc1cnc2ccccc2c1NCCNc1ncccn1
InChIInChI=1S/C25H35N5O6.C17H17N5O2.C15H18N2O2.C14H17N5O2.2C14H17N3O2.C12H10ClNO2.C12H20F3N3O6S.C4H3ClN2.C3H9N/c1-8-34-20(31)17-15-28-18-12-10-9-11-16(18)19(17)26-13-14-27-21(29-22(32)35-24(2,3)4)30-23(33)36-25(5,6)7;23-15(24)10-12-11-22-14-5-2-1-4-13(14)16(12)18-8-9-21-17-19-6-3-7-20-17;1-3-9-16-14-11-7-5-6-8-13(11)17-10-12(14)15(18)19-4-2;15-14(16)18-6-5-17-13-9(7-12(20)21)8-19-11-4-2-1-3-10(11)13;2*1-2-19-14(18)11-9-17-12-6-4-3-5-10(12)13(11)16-8-7-15;1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13;1-10(2,3)23-8(19)16-7(17-9(20)24-11(4,5)6)18-25(21,22)12(13,14)15;5-4-6-2-1-3-7-4;1-2-3-4/h9-12,15H,8,13-14H2,1-7H3,(H,26,28)(H2,27,29,30,32,33);1-7,11H,8-10H2,(H,18,22)(H,23,24)(H,19,20,21);5-8,10H,3-4,9H2,1-2H3,(H,16,17);1-4,8H,5-7H2,(H,17,19)(H,20,21)(H4,15,16,18);2*3-6,9H,2,7-8,15H2,1H3,(H,16,17);3-7H,2H2,1H3;1-6H3,(H2,16,17,18,19,20);1-3H;2-4H2,1H3
InChIKeyFGLKAGQHCZZQRH-UHFFFAOYSA-N
MW2689.89 g/mol
LogP20.54
Rot. Bonds38

About tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid

tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid (PubChem CID 158024560) has the molecular formula C130H163Cl2F3N30O24S and a molecular weight of 2689.89 g/mol. Its IUPAC name is tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid.

Molecular Properties

Compound Nametert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid
PubChem CID158024560
Molecular FormulaC130H163Cl2F3N30O24S
Molecular Weight2689.89 g/mol
Exact Mass2687.15
IUPAC Nametert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC(=NS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C.CCCN.CCCNc1c(C(=O)OCC)cnc2ccccc12.CCOC(=O)c1cnc2ccccc2c1Cl.CCOC(=O)c1cnc2ccccc2c1NCCN.CCOC(=O)c1cnc2ccccc2c1NCCN.CCOC(=O)c1cnc2ccccc2c1NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.Clc1ncccn1.NC(N)=NCCNc1c(CC(=O)O)cnc2ccccc12.O=C(O)Cc1cnc2ccccc2c1NCCNc1ncccn1
InChIInChI=1S/C25H35N5O6.C17H17N5O2.C15H18N2O2.C14H17N5O2.2C14H17N3O2.C12H10ClNO2.C12H20F3N3O6S.C4H3ClN2.C3H9N/c1-8-34-20(31)17-15-28-18-12-10-9-11-16(18)19(17)26-13-14-27-21(29-22(32)35-24(2,3)4)30-23(33)36-25(5,6)7;23-15(24)10-12-11-22-14-5-2-1-4-13(14)16(12)18-8-9-21-17-19-6-3-7-20-17;1-3-9-16-14-11-7-5-6-8-13(11)17-10-12(14)15(18)19-4-2;15-14(16)18-6-5-17-13-9(7-12(20)21)8-19-11-4-2-1-3-10(11)13;2*1-2-19-14(18)11-9-17-12-6-4-3-5-10(12)13(11)16-8-7-15;1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13;1-10(2,3)23-8(19)16-7(17-9(20)24-11(4,5)6)18-25(21,22)12(13,14)15;5-4-6-2-1-3-7-4;1-2-3-4/h9-12,15H,8,13-14H2,1-7H3,(H,26,28)(H2,27,29,30,32,33);1-7,11H,8-10H2,(H,18,22)(H,23,24)(H,19,20,21);5-8,10H,3-4,9H2,1-2H3,(H,16,17);1-4,8H,5-7H2,(H,17,19)(H,20,21)(H4,15,16,18);2*3-6,9H,2,7-8,15H2,1H3,(H,16,17);3-7H,2H2,1H3;1-6H3,(H2,16,17,18,19,20);1-3H;2-4H2,1H3
InChIKeyFGLKAGQHCZZQRH-UHFFFAOYSA-N
XLogP20.54
TPSA786.74 Ų
H-Bond Donors18
H-Bond Acceptors45
Rotatable Bonds38
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002689.89
LogP ≤ 520.54
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid with MolForge

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Related Compounds

CID 157869631
CID 157869631
2-aminopyridine-3-carboxylic acid;ethyl 4-chloro-2-methyl-1,8-naphthyridine-3-carboxylate;ethyl 2-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;ethyl 2-methyl-4-piperidin-1-yl-1,8-naphthyridine-3-carboxylate;ethyl 3-oxobutanoate;methane;2-methyl-4-piperidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-oxo-1H-pyrido[2,3-d]oxathiazin-4-one;phosphoryl trichloride;piperidine;[3-(trifluoromethyl)phenyl]methanamine
CID 158745534
acetylene;benzyl 4-aminobutanoate;benzyl 4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]butanoate;benzyl 4-[[4-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butylamino]quinoline-3-carbonyl]amino]butanoate;benzyl 4-[[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carbonyl]amino]butanoate;tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;but-2-yne;4-[[4-[4-(diaminomethylideneamino)butylamino]quinoline-3-carbonyl]amino]butanoic acid;hexa-1,3,5-triyne;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid;penta-1,3-diyne;prop-1-yne
CID 161481886
6-Chloro-5-nitropyridine-3-carboxylic acid;cyclohexanamine;bis(ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate);ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-chloro-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate
CID 158522338
6-Chloro-5-nitropyridine-3-carboxylic acid;cyclohexanamine;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-chloro-5-nitropyridine-3-carboxylate;bis(ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate);ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate
CID 158892847
dimethyl 2-aminobenzene-1,4-dicarboxylate;dimethyl 2-(carbamoylamino)benzene-1,4-dicarboxylate;ethane;methyl 2-chloroquinazoline-7-carboxylate;methyl 2,4-dichloroquinazoline-7-carboxylate;methyl 2,4-dioxo-1H-quinazoline-7-carboxylate;methyl 2-methylquinazoline-7-carboxylate;2-methylquinazoline-7-carboxylic acid;1-(2-methylquinazolin-7-yl)ethanone;hydroiodide
CID 159035420
Tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 159214951
6-Chloro-5-nitropyridine-3-carboxylic acid;cyclohexanamine;ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 6-chloro-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyrimidin-4-ylmethylamino)pyridine-3-carboxylate
CID 159284065
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate;methyl 2,4-bis[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]quinoline-3-carboxylate;methyl 2,4-bis(3,5-diaminopiperidin-1-yl)quinoline-3-carboxylate;methyl 2,4-dichloroquinoline-3-carboxylate
CID 159395179

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid?
The IUPAC name of tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid (CID 158024560) is tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid.
What is the SMILES notation for tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid?
The canonical SMILES for tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid is CC(C)(C)OC(=O)NC(=NS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C.CCCN.CCCNc1c(C(=O)OCC)cnc2ccccc12.CCOC(=O)c1cnc2ccccc2c1Cl.CCOC(=O)c1cnc2ccccc2c1NCCN.CCOC(=O)c1cnc2ccccc2c1NCCN.CCOC(=O)c1cnc2ccccc2c1NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.Clc1ncccn1.NC(N)=NCCNc1c(CC(=O)O)cnc2ccccc12.O=C(O)Cc1cnc2ccccc2c1NCCNc1ncccn1.
What is the InChIKey of tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid?
The InChIKey is FGLKAGQHCZZQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O6.C17H17N5O2.C15H18N2O2.C14H17N5O2.2C14H17N3O2.C12H10ClNO2.C12H20F3N3O6S.C4H3ClN2.C3H9N/c1-8-34-20(31)17-15-28-18-12-10-9-11-16(18)19(17)26-13-14-27-21(29-22(32)35-24(2,3)4)30-23(33)36-25(5,6)7;23-15(24)10-12-11-22-14-5-2-1-4-13(14)16(12)18-8-9-21-17-19-6-3-7-20-17;1-3-9-16-14-11-7-5-6-8-13(11)17-10-12(14)15(18)19-4-2;15-14(16)18-6-5-17-13-9(7-12(20)21)8-19-11-4-2-1-3-10(11)13;2*1-2-19-14(18)11-9-17-12-6-4-3-5-10(12)13(11)16-8-7-15;1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13;1-10(2,3)23-8(19)16-7(17-9(20)24-11(4,5)6)18-25(21,22)12(13,14)15;5-4-6-2-1-3-7-4;1-2-3-4/h9-12,15H,8,13-14H2,1-7H3,(H,26,28)(H2,27,29,30,32,33);1-7,11H,8-10H2,(H,18,22)(H,23,24)(H,19,20,21);5-8,10H,3-4,9H2,1-2H3,(H,16,17);1-4,8H,5-7H2,(H,17,19)(H,20,21)(H4,15,16,18);2*3-6,9H,2,7-8,15H2,1H3,(H,16,17);3-7H,2H2,1H3;1-6H3,(H2,16,17,18,19,20);1-3H;2-4H2,1H3.
What are the key properties of tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid?
tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid has a molecular weight of 2689.89 g/mol, XLogP of 20.54, 38 rotatable bonds, 18 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid is sourced from PubChem (CID 158024560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).