N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide

C19H18N2O2 — CID 943545

IUPACN-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide
SMILESCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-2-19(23)21(15-8-4-3-5-9-15)13-14-12-18(22)20-17-11-7-6-10-16(14)17/h3-12H,2,13H2,1H3,(H,20,22)
InChIKeyPIVSDFAKUKVXIZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.47
Rot. Bonds4

About N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide

N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide (PubChem CID 943545) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide
PubChem CID943545
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide
SMILESCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-2-19(23)21(15-8-4-3-5-9-15)13-14-12-18(22)20-17-11-7-6-10-16(14)17/h3-12H,2,13H2,1H3,(H,20,22)
InChIKeyPIVSDFAKUKVXIZ-UHFFFAOYSA-N
XLogP3.47
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide?
The IUPAC name of N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide (CID 943545) is N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide?
The canonical SMILES for N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide is CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide?
The InChIKey is PIVSDFAKUKVXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-19(23)21(15-8-4-3-5-9-15)13-14-12-18(22)20-17-11-7-6-10-16(14)17/h3-12H,2,13H2,1H3,(H,20,22).
What are the key properties of N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide?
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide has a molecular weight of 306.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide is sourced from PubChem (CID 943545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).