N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide

C21H22N2O2 — CID 930092

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide
SMILESCCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-3-7-20(24)23(18-8-5-4-6-9-18)14-17-13-16-11-10-15(2)12-19(16)22-21(17)25/h4-6,8-13H,3,7,14H2,1-2H3,(H,22,25)
InChIKeyMDASJWKUEPFJGV-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.17
Rot. Bonds5

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide (PubChem CID 930092) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide
PubChem CID930092
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide
SMILESCCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-3-7-20(24)23(18-8-5-4-6-9-18)14-17-13-16-11-10-15(2)12-19(16)22-21(17)25/h4-6,8-13H,3,7,14H2,1-2H3,(H,22,25)
InChIKeyMDASJWKUEPFJGV-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide
CID 930030
N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 1017039
2,2-dimethyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylpropanamide
CID 936088
N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 1312211
N-(3,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 833965
N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1417601
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide
CID 1424779
N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 929587
2-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)acetamide
CID 1091876
N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 951195
N-(4-methoxyphenyl)-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1420271
N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide (CID 930092) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide is CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide?
The InChIKey is MDASJWKUEPFJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-7-20(24)23(18-8-5-4-6-9-18)14-17-13-16-11-10-15(2)12-19(16)22-21(17)25/h4-6,8-13H,3,7,14H2,1-2H3,(H,22,25).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide?
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide has a molecular weight of 334.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide is sourced from PubChem (CID 930092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).