2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide

C21H22N2O2 — CID 110675682

IUPAC2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc2[nH]c(=O)c(Cc3ccccc3)cc2c1
InChIInChI=1S/C21H22N2O2/c1-14(2)22-20(24)12-16-8-9-19-17(11-16)13-18(21(25)23-19)10-15-6-4-3-5-7-15/h3-9,11,13-14H,10,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHIFRLQZRUIFERD-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.19
Rot. Bonds5

About 2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide

2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide (PubChem CID 110675682) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide
PubChem CID110675682
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc2[nH]c(=O)c(Cc3ccccc3)cc2c1
InChIInChI=1S/C21H22N2O2/c1-14(2)22-20(24)12-16-8-9-19-17(11-16)13-18(21(25)23-19)10-15-6-4-3-5-7-15/h3-9,11,13-14H,10,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHIFRLQZRUIFERD-UHFFFAOYSA-N
XLogP3.19
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
4-[[6-[benzyl(iodo)carbamoyl]-2-oxo-1H-quinolin-3-yl]methyl]benzoic acid
CID 90692460
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51949830
N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide
CID 110703838
4-[[6-[benzyl(sulfo)carbamoyl]-2-oxo-1H-quinolin-3-yl]methyl]benzoic acid
CID 91340049
3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one
CID 166457923
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-propan-2-ylpropanamide
CID 110331604
N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51115860
N-[(R)-cyclobutyl(phenyl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 97081084
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetamide
CID 110675548
N-(2-bromophenyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110300601
N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2038527

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide (CID 110675682) is 2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc2[nH]c(=O)c(Cc3ccccc3)cc2c1.
What is the InChIKey of 2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide?
The InChIKey is HIFRLQZRUIFERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14(2)22-20(24)12-16-8-9-19-17(11-16)13-18(21(25)23-19)10-15-6-4-3-5-7-15/h3-9,11,13-14H,10,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide?
2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide has a molecular weight of 334.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 110675682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).