N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide

C21H22N2O2 — CID 2038527

IUPACN-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H22N2O2/c1-15(2)21(25)23(13-16-8-4-3-5-9-16)14-18-12-17-10-6-7-11-19(17)22-20(18)24/h3-12,15H,13-14H2,1-2H3,(H,22,24)
InChIKeyFWWZNHTUDAHDPV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.71
Rot. Bonds5

About N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide

N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 2038527) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID2038527
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H22N2O2/c1-15(2)21(25)23(13-16-8-4-3-5-9-16)14-18-12-17-10-6-7-11-19(17)22-20(18)24/h3-12,15H,13-14H2,1-2H3,(H,22,24)
InChIKeyFWWZNHTUDAHDPV-UHFFFAOYSA-N
XLogP3.71
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
N-ethyl-4-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 943147
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 945290
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylacetamide
CID 945365
4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 4885893
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 1459301
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 4896654
2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4888416
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide
CID 1400292
1-benzyl-3-(2-fluorophenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449305
2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394928

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 2038527) is N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide is CC(C)C(=O)N(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is FWWZNHTUDAHDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15(2)21(25)23(13-16-8-4-3-5-9-16)14-18-12-17-10-6-7-11-19(17)22-20(18)24/h3-12,15H,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 2038527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).