(4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid

C129H176ClN21O27 — CID 158987665

IUPAC(4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCCCNc1c(C(=O)O)cnc2ccccc12.CCOC(=O)c1c[nH]c2ccccc2c1=O.CCOC(=O)c1cnc2ccccc2c1Cl.CCOC(=O)c1cnc2ccccc2c1NCCCCN.CCOC(=O)c1cnc2ccccc2c1NCCCCNC(=O)OC(C)(C)C.CCOC=C(C(=O)OCC)C(=O)OCC.CNC(=O)[C@@H](N)CCC(=O)OC(C)(C)C.NCCCCN.NCCCCNc1c(C(=O)N[C@H](CCC(=O)O)C(N)=O)cnc2ccccc12.Nc1ccccc1
InChIInChI=1S/C21H29N3O4.C19H25N5O4.C19H25N3O4.C16H21N3O2.C12H10ClNO2.C12H11NO3.C10H20N2O3.C10H16O5.C6H7N.C4H12N2/c1-5-27-19(25)16-14-24-17-11-7-6-10-15(17)18(16)22-12-8-9-13-23-20(26)28-21(2,3)4;20-9-3-4-10-22-17-12-5-1-2-6-14(12)23-11-13(17)19(28)24-15(18(21)27)7-8-16(25)26;1-19(2,3)26-18(25)21-11-7-6-10-20-16-13-8-4-5-9-15(13)22-12-14(16)17(23)24;1-2-21-16(20)13-11-19-14-8-4-3-7-12(14)15(13)18-10-6-5-9-17;1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13;1-2-16-12(15)9-7-13-10-6-4-3-5-8(10)11(9)14;1-10(2,3)15-8(13)6-5-7(11)9(14)12-4;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;7-6-4-2-1-3-5-6;5-3-1-2-4-6/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,22,24)(H,23,26);1-2,5-6,11,15H,3-4,7-10,20H2,(H2,21,27)(H,22,23)(H,24,28)(H,25,26);4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,20,22)(H,21,25)(H,23,24);3-4,7-8,11H,2,5-6,9-10,17H2,1H3,(H,18,19);3-7H,2H2,1H3;3-7H,2H2,1H3,(H,13,14);7H,5-6,11H2,1-4H3,(H,12,14);7H,4-6H2,1-3H3;1-5H,7H2;1-6H2/t;15-;;;;;7-;;;/m.1....0.../s1
InChIKeyJPTRUVBLWQEQFK-FSJBWHFBSA-N
MW2488.40 g/mol
LogP18.11
Rot. Bonds50

About (4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid

(4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid (PubChem CID 158987665) has the molecular formula C129H176ClN21O27 and a molecular weight of 2488.40 g/mol. Its IUPAC name is (4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name(4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid
PubChem CID158987665
Molecular FormulaC129H176ClN21O27
Molecular Weight2488.40 g/mol
Exact Mass2486.27
IUPAC Name(4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCCCNc1c(C(=O)O)cnc2ccccc12.CCOC(=O)c1c[nH]c2ccccc2c1=O.CCOC(=O)c1cnc2ccccc2c1Cl.CCOC(=O)c1cnc2ccccc2c1NCCCCN.CCOC(=O)c1cnc2ccccc2c1NCCCCNC(=O)OC(C)(C)C.CCOC=C(C(=O)OCC)C(=O)OCC.CNC(=O)[C@@H](N)CCC(=O)OC(C)(C)C.NCCCCN.NCCCCNc1c(C(=O)N[C@H](CCC(=O)O)C(N)=O)cnc2ccccc12.Nc1ccccc1
InChIInChI=1S/C21H29N3O4.C19H25N5O4.C19H25N3O4.C16H21N3O2.C12H10ClNO2.C12H11NO3.C10H20N2O3.C10H16O5.C6H7N.C4H12N2/c1-5-27-19(25)16-14-24-17-11-7-6-10-15(17)18(16)22-12-8-9-13-23-20(26)28-21(2,3)4;20-9-3-4-10-22-17-12-5-1-2-6-14(12)23-11-13(17)19(28)24-15(18(21)27)7-8-16(25)26;1-19(2,3)26-18(25)21-11-7-6-10-20-16-13-8-4-5-9-15(13)22-12-14(16)17(23)24;1-2-21-16(20)13-11-19-14-8-4-3-7-12(14)15(13)18-10-6-5-9-17;1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13;1-2-16-12(15)9-7-13-10-6-4-3-5-8(10)11(9)14;1-10(2,3)15-8(13)6-5-7(11)9(14)12-4;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;7-6-4-2-1-3-5-6;5-3-1-2-4-6/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,22,24)(H,23,26);1-2,5-6,11,15H,3-4,7-10,20H2,(H2,21,27)(H,22,23)(H,24,28)(H,25,26);4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,20,22)(H,21,25)(H,23,24);3-4,7-8,11H,2,5-6,9-10,17H2,1H3,(H,18,19);3-7H,2H2,1H3;3-7H,2H2,1H3,(H,13,14);7H,5-6,11H2,1-4H3,(H,12,14);7H,4-6H2,1-3H3;1-5H,7H2;1-6H2/t;15-;;;;;7-;;;/m.1....0.../s1
InChIKeyJPTRUVBLWQEQFK-FSJBWHFBSA-N
XLogP18.11
TPSA747.43 Ų
H-Bond Donors18
H-Bond Acceptors40
Rotatable Bonds50
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002488.40
LogP ≤ 518.11
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid with MolForge

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Related Compounds

4-Anilino-6-piperazin-1-ylquinoline-3-carboxamide;azane;tert-butyl 4-(4-anilino-3-carbamoylquinolin-6-yl)piperazine-1-carboxylate;tert-butyl piperidine-4-carboxylate;ethene;ethyl 4-anilino-6-chloroquinoline-3-carboxylate;ethyl 4-anilino-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]quinoline-3-carboxylate;methane;2,2,2-trifluoroacetaldehyde
CID 160597113
sodium;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;tert-butyl N-(2-amino-4-fluorophenyl)carbamate;tert-butyl 4-[3-[2-[5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;hydroxide
CID 157146666
disodium;ethane-1,2-diol;2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate;1H-indole-2,3-dione;methyl 2-pyridin-2-ylquinoline-4-carboxylate;N-(1-phenylethyl)-2-pyridin-2-ylquinoline-4-carboxamide;1-pyridin-2-ylethanone;2-pyridin-2-ylquinoline-4-carbonyl chloride;2-pyridin-2-ylquinoline-4-carboxylate;2-pyridin-2-ylquinoline-4-carboxylic acid;(2-pyridin-2-ylquinolin-4-yl)methanol;hydroxide
CID 157234342
CID 157487542
CID 157487542
3-amino-N-(2,6-dioxopiperidin-3-yl)quinoline-8-carboxamide;benzyl N-[8-[(2,6-dioxopiperidin-3-yl)carbamoyl]quinolin-3-yl]carbamate;methane;3-(phenylmethoxycarbonylamino)quinoline-8-carboxylic acid;hydrobromide
CID 157828859
ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-phenylquinoline-3-carboxylate;N-methoxy-N-methyl-4-phenylquinoline-3-carboxamide;4-phenylquinoline-3-carboxylic acid;1-(4-phenylquinolin-3-yl)ethanone;(E)-1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one;pyridine-2-carbaldehyde
CID 157931604
2-(2-Amino-5-pyridin-4-ylphenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;tert-butyl 4-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid
CID 158065962
tert-butyl 3-(hydroxymethyl)-3,4-dihydro-2H-quinoline-1-carboxylate;methyl quinoline-3-carboxylate;methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate;quinoline-3-carboxylic acid;1,2,3,4-tetrahydroquinolin-3-ylmethanol
CID 158197605
Cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate
CID 158243940
aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide
CID 158454807
CID 158512650
CID 158512650
benzyl 4-aminopiperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate;benzyl 4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;3-methyl-1-piperidin-4-yl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid
CID 158543183

Frequently Asked Questions

What is the IUPAC name of (4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid?
The IUPAC name of (4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid (CID 158987665) is (4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid.
What is the SMILES notation for (4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid?
The canonical SMILES for (4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid is CC(C)(C)OC(=O)NCCCCNc1c(C(=O)O)cnc2ccccc12.CCOC(=O)c1c[nH]c2ccccc2c1=O.CCOC(=O)c1cnc2ccccc2c1Cl.CCOC(=O)c1cnc2ccccc2c1NCCCCN.CCOC(=O)c1cnc2ccccc2c1NCCCCNC(=O)OC(C)(C)C.CCOC=C(C(=O)OCC)C(=O)OCC.CNC(=O)[C@@H](N)CCC(=O)OC(C)(C)C.NCCCCN.NCCCCNc1c(C(=O)N[C@H](CCC(=O)O)C(N)=O)cnc2ccccc12.Nc1ccccc1.
What is the InChIKey of (4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid?
The InChIKey is JPTRUVBLWQEQFK-FSJBWHFBSA-N. The full InChI is InChI=1S/C21H29N3O4.C19H25N5O4.C19H25N3O4.C16H21N3O2.C12H10ClNO2.C12H11NO3.C10H20N2O3.C10H16O5.C6H7N.C4H12N2/c1-5-27-19(25)16-14-24-17-11-7-6-10-15(17)18(16)22-12-8-9-13-23-20(26)28-21(2,3)4;20-9-3-4-10-22-17-12-5-1-2-6-14(12)23-11-13(17)19(28)24-15(18(21)27)7-8-16(25)26;1-19(2,3)26-18(25)21-11-7-6-10-20-16-13-8-4-5-9-15(13)22-12-14(16)17(23)24;1-2-21-16(20)13-11-19-14-8-4-3-7-12(14)15(13)18-10-6-5-9-17;1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13;1-2-16-12(15)9-7-13-10-6-4-3-5-8(10)11(9)14;1-10(2,3)15-8(13)6-5-7(11)9(14)12-4;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;7-6-4-2-1-3-5-6;5-3-1-2-4-6/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,22,24)(H,23,26);1-2,5-6,11,15H,3-4,7-10,20H2,(H2,21,27)(H,22,23)(H,24,28)(H,25,26);4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,20,22)(H,21,25)(H,23,24);3-4,7-8,11H,2,5-6,9-10,17H2,1H3,(H,18,19);3-7H,2H2,1H3;3-7H,2H2,1H3,(H,13,14);7H,5-6,11H2,1-4H3,(H,12,14);7H,4-6H2,1-3H3;1-5H,7H2;1-6H2/t;15-;;;;;7-;;;/m.1....0.../s1.
What are the key properties of (4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid?
(4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid has a molecular weight of 2488.40 g/mol, XLogP of 18.11, 50 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid is sourced from PubChem (CID 158987665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).