N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C21H18N2O3 — CID 134036544

IUPACN-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NC(c2ccccc2)c2ccco2)c2ccccc2N1
InChIInChI=1S/C21H18N2O3/c24-19-13-16(15-9-4-5-10-17(15)22-19)21(25)23-20(18-11-6-12-26-18)14-7-2-1-3-8-14/h1-12,16,20H,13H2,(H,22,24)(H,23,25)
InChIKeyGQGQFGNTRXYCPG-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.61
Rot. Bonds4

About N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 134036544) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID134036544
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NC(c2ccccc2)c2ccco2)c2ccccc2N1
InChIInChI=1S/C21H18N2O3/c24-19-13-16(15-9-4-5-10-17(15)22-19)21(25)23-20(18-11-6-12-26-18)14-7-2-1-3-8-14/h1-12,16,20H,13H2,(H,22,24)(H,23,25)
InChIKeyGQGQFGNTRXYCPG-UHFFFAOYSA-N
XLogP3.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid
CID 124684330
(2R)-2-[[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid
CID 124683658
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 4616929
7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18137244
2-oxo-N-pentan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42933282
(2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid
CID 120615414
(1R,2R,4S)-N-[(R)-furan-2-yl(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98536736
(3S)-3-(2-methylphenyl)-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]propanoic acid
CID 124695573
2-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]butanoic acid
CID 119199156
[furan-2-yl(phenyl)methyl]urea
CID 14906081
4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229415

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 134036544) is N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NC(c2ccccc2)c2ccco2)c2ccccc2N1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is GQGQFGNTRXYCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19-13-16(15-9-4-5-10-17(15)22-19)21(25)23-20(18-11-6-12-26-18)14-7-2-1-3-8-14/h1-12,16,20H,13H2,(H,22,24)(H,23,25).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 134036544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).