[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid

C20H19N3O4 — CID 126736396

IUPAC[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid
SMILESCCCc1ccc(NC(=O)O)cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C20H19N3O4/c1-2-5-12-8-9-13(22-20(26)27)10-17(12)23-19(25)15-11-21-16-7-4-3-6-14(16)18(15)24/h3-4,6-11,22H,2,5H2,1H3,(H,21,24)(H,23,25)(H,26,27)
InChIKeyCEDZDNHHYHZHBK-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.82
Rot. Bonds5

About [3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid

[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid (PubChem CID 126736396) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is [3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid.

Molecular Properties

Compound Name[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid
PubChem CID126736396
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid
SMILESCCCc1ccc(NC(=O)O)cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C20H19N3O4/c1-2-5-12-8-9-13(22-20(26)27)10-17(12)23-19(25)15-11-21-16-7-4-3-6-14(16)18(15)24/h3-4,6-11,22H,2,5H2,1H3,(H,21,24)(H,23,25)(H,26,27)
InChIKeyCEDZDNHHYHZHBK-UHFFFAOYSA-N
XLogP3.82
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-(4-tert-butyl-2-ethyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87461578
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 53247257
N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 60543842
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide
CID 137464807
ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-4-carboxylate;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-4-carboxylic acid
CID 157331243

Frequently Asked Questions

What is the IUPAC name of [3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid?
The IUPAC name of [3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid (CID 126736396) is [3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid.
What is the SMILES notation for [3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid?
The canonical SMILES for [3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid is CCCc1ccc(NC(=O)O)cc1NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of [3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid?
The InChIKey is CEDZDNHHYHZHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-5-12-8-9-13(22-20(26)27)10-17(12)23-19(25)15-11-21-16-7-4-3-6-14(16)18(15)24/h3-4,6-11,22H,2,5H2,1H3,(H,21,24)(H,23,25)(H,26,27).
What are the key properties of [3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid?
[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid has a molecular weight of 365.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid is sourced from PubChem (CID 126736396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).