sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid

C72H77N12NaO13 — CID 157491203

IUPACsodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid
SMILESC.C1CCOC1.CC(C)CN.CC(C)CNC(=O)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O.CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O.O=C(O)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O.[NH-]O.[Na+]
InChIInChI=1S/C23H22N4O3.C21H17N3O4.C19H13N3O4.C4H11N.C4H8O.CH4.H2NO.Na/c1-13(2)11-26-22(29)16-9-14-7-8-24-19(14)10-20(16)27-23(30)17-12-25-18-6-4-3-5-15(18)21(17)28;1-2-28-21(27)14-9-12-7-8-22-17(12)10-18(14)24-20(26)15-11-23-16-6-4-3-5-13(16)19(15)25;23-17-11-3-1-2-4-14(11)21-9-13(17)18(24)22-16-8-15-10(5-6-20-15)7-12(16)19(25)26;1-4(2)3-5;1-2-4-5-3-1;;1-2;/h3-10,12-13,24H,11H2,1-2H3,(H,25,28)(H,26,29)(H,27,30);3-11,22H,2H2,1H3,(H,23,25)(H,24,26);1-9,20H,(H,21,23)(H,22,24)(H,25,26);4H,3,5H2,1-2H3;1-4H2;1H4;1-2H;/q;;;;;;-1;+1
InChIKeyBXHKLGBKZMVJOL-UHFFFAOYSA-N
MW1341.47 g/mol
LogP9.51
Rot. Bonds13

About sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid

sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid (PubChem CID 157491203) has the molecular formula C72H77N12NaO13 and a molecular weight of 1341.47 g/mol. Its IUPAC name is sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Namesodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid
PubChem CID157491203
Molecular FormulaC72H77N12NaO13
Molecular Weight1341.47 g/mol
Exact Mass1340.56
IUPAC Namesodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid
SMILESC.C1CCOC1.CC(C)CN.CC(C)CNC(=O)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O.CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O.O=C(O)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O.[NH-]O.[Na+]
InChIInChI=1S/C23H22N4O3.C21H17N3O4.C19H13N3O4.C4H11N.C4H8O.CH4.H2NO.Na/c1-13(2)11-26-22(29)16-9-14-7-8-24-19(14)10-20(16)27-23(30)17-12-25-18-6-4-3-5-15(18)21(17)28;1-2-28-21(27)14-9-12-7-8-22-17(12)10-18(14)24-20(26)15-11-23-16-6-4-3-5-13(16)19(15)25;23-17-11-3-1-2-4-14(11)21-9-13(17)18(24)22-16-8-15-10(5-6-20-15)7-12(16)19(25)26;1-4(2)3-5;1-2-4-5-3-1;;1-2;/h3-10,12-13,24H,11H2,1-2H3,(H,25,28)(H,26,29)(H,27,30);3-11,22H,2H2,1H3,(H,23,25)(H,24,26);1-9,20H,(H,21,23)(H,22,24)(H,25,26);4H,3,5H2,1-2H3;1-4H2;1H4;1-2H;/q;;;;;;-1;+1
InChIKeyBXHKLGBKZMVJOL-UHFFFAOYSA-N
XLogP9.51
TPSA405.23 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001341.47
LogP ≤ 59.51
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid with MolForge

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Related Compounds

methyl 3-[2-[3-[4-[3-[[2-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]butylamino]propylamino]-2-oxoacetyl]-1H-indole-5-carboxylate;bis(2,2,2-trifluoroacetic acid)
CID 155519092
5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 91147509
5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]ethanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 157792691
3-(4-tert-butylphenyl)-N-[4-(hydroxymethyl)phenyl]propanamide;4-[3-(4-tert-butylphenyl)propanoylamino]benzamide;N-(1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;methyl 4-[3-(4-tert-butylphenyl)propanoylamino]benzoate
CID 161675678
methyl 3-[2-[3-[4-[3-[[2-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]butylamino]propylamino]-2-oxoacetyl]-1H-indole-5-carboxylate
CID 155519093
5-carboxy-3-(1-methylpiperidin-4-yl)-1H-indole 5-ethoxycarbonyl-3-(1-methyl-1,2,5,6-tetrahydropyridin-4-yl)-1H-indole
CID 21842736
6-[(4-oxo-1H-quinolin-3-yl)carbonylamino]-1H-indole-5-carboxylic acid
CID 57567285
6-[(4-oxo-1H-quinolin-3-yl)carbonylamino]-1H-indole-5-carboxylic acid ethyl ester
CID 57567392
6-[(4-Oxo-1h-quinolin-3-yl)carbonylamino]-1h-indole-7-carboxylic acid ethyl ester
CID 66675263
benzyl N-[(5S)-5-amino-5-[[4-[bis[4-[[(2S)-2-amino-2-[2-(5-methyl-1H-indol-3-yl)acetyl]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]phenyl]methyl]phenyl]carbamoyl]-7-(5-methyl-1H-indol-3-yl)-6-oxoheptyl]carbamate
CID 87971645
ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine
CID 91150394
ethyl 6-[(4-hydroxy-1,4-dihydroquinoline-3-carbonyl)amino]-1H-indole-5-carboxylate
CID 117704641

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid?
The IUPAC name of sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid (CID 157491203) is sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid.
What is the SMILES notation for sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid?
The canonical SMILES for sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid is C.C1CCOC1.CC(C)CN.CC(C)CNC(=O)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O.CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O.O=C(O)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O.[NH-]O.[Na+].
What is the InChIKey of sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid?
The InChIKey is BXHKLGBKZMVJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3.C21H17N3O4.C19H13N3O4.C4H11N.C4H8O.CH4.H2NO.Na/c1-13(2)11-26-22(29)16-9-14-7-8-24-19(14)10-20(16)27-23(30)17-12-25-18-6-4-3-5-15(18)21(17)28;1-2-28-21(27)14-9-12-7-8-22-17(12)10-18(14)24-20(26)15-11-23-16-6-4-3-5-13(16)19(15)25;23-17-11-3-1-2-4-14(11)21-9-13(17)18(24)22-16-8-15-10(5-6-20-15)7-12(16)19(25)26;1-4(2)3-5;1-2-4-5-3-1;;1-2;/h3-10,12-13,24H,11H2,1-2H3,(H,25,28)(H,26,29)(H,27,30);3-11,22H,2H2,1H3,(H,23,25)(H,24,26);1-9,20H,(H,21,23)(H,22,24)(H,25,26);4H,3,5H2,1-2H3;1-4H2;1H4;1-2H;/q;;;;;;-1;+1.
What are the key properties of sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid?
sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid has a molecular weight of 1341.47 g/mol, XLogP of 9.51, 13 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylate;hydroxyazanide;methane;2-methylpropan-1-amine;N-[5-(2-methylpropylcarbamoyl)-1H-indol-6-yl]-4-oxo-1H-quinoline-3-carboxamide;oxolane;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 157491203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).