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

C19H18N2O2 — CID 66674989

IUPAC4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C19H18N2O2/c1-12(2)13-7-3-6-10-17(13)21-19(23)15-11-20-16-9-5-4-8-14(16)18(15)22/h3-12H,1-2H3,(H,20,22)(H,21,23)
InChIKeyOUQKMPZZIACMJN-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.90
Rot. Bonds3

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

4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide (PubChem CID 66674989) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide
PubChem CID66674989
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C19H18N2O2/c1-12(2)13-7-3-6-10-17(13)21-19(23)15-11-20-16-9-5-4-8-14(16)18(15)22/h3-12H,1-2H3,(H,20,22)(H,21,23)
InChIKeyOUQKMPZZIACMJN-UHFFFAOYSA-N
XLogP3.90
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide (CID 66674989) is 4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide is CC(C)c1ccccc1NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide?
The InChIKey is OUQKMPZZIACMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12(2)13-7-3-6-10-17(13)21-19(23)15-11-20-16-9-5-4-8-14(16)18(15)22/h3-12H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide?
4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-propan-2-ylphenyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66674989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).