2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid

C19H18N2O3 — CID 53349705

IUPAC2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(NCCCc2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H18N2O3/c22-18-16(19(23)24)17(14-10-4-5-11-15(14)21-18)20-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,23,24)(H2,20,21,22)
InChIKeyFETDLIFWLQEEIM-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.27
Rot. Bonds6

About 2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid

2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid (PubChem CID 53349705) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid
PubChem CID53349705
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(NCCCc2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H18N2O3/c22-18-16(19(23)24)17(14-10-4-5-11-15(14)21-18)20-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,23,24)(H2,20,21,22)
InChIKeyFETDLIFWLQEEIM-UHFFFAOYSA-N
XLogP3.27
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
CID 24939140
ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 913126
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54734355
2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide
CID 135604867
3,5-difluoro-4-(3-phenylpropylamino)benzoic acid
CID 63187020
3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid
CID 139572181
3-amino-2-(3-phenylpropylamino)benzoic acid
CID 115934219
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid
CID 53349929
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
N-(2-oxo-4-phenyl-1H-quinolin-3-yl)-2-phenylacetamide
CID 10689473
4-(10-phenyldecylamino)benzoic acid
CID 13079660

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid?
The IUPAC name of 2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid (CID 53349705) is 2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid is O=C(O)c1c(NCCCc2ccccc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid?
The InChIKey is FETDLIFWLQEEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18-16(19(23)24)17(14-10-4-5-11-15(14)21-18)20-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,23,24)(H2,20,21,22).
What are the key properties of 2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid?
2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 53349705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).