2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C19H20N2O2 — CID 110702917

IUPAC2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C19H20N2O2/c1-12(2)13-7-3-5-9-16(13)21-19(23)15-11-18(22)20-17-10-6-4-8-14(15)17/h3-10,12,15H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIBDXANIZMOTFFH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.87
Rot. Bonds3

About 2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide

2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 110702917) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID110702917
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C19H20N2O2/c1-12(2)13-7-3-5-9-16(13)21-19(23)15-11-18(22)20-17-10-6-4-8-14(15)17/h3-10,12,15H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIBDXANIZMOTFFH-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696236
N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134000047
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
N-(2,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42930651
(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95133953
(4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 92815911
N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 4616929
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
(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
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 42909016

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 110702917) is 2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide is CC(C)c1ccccc1NC(=O)C1CC(=O)Nc2ccccc21.
What is the InChIKey of 2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is IBDXANIZMOTFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12(2)13-7-3-5-9-16(13)21-19(23)15-11-18(22)20-17-10-6-4-8-14(15)17/h3-10,12,15H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 110702917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).