N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide

C21H22N2O2 — CID 110355986

IUPACN-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H22N2O2/c1-3-15-9-6-7-14(2)20(15)23-19(24)12-11-17-13-16-8-4-5-10-18(16)22-21(17)25/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyUBRBELJPRPHQKR-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.97
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide

N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110355986) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110355986
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H22N2O2/c1-3-15-9-6-7-14(2)20(15)23-19(24)12-11-17-13-16-8-4-5-10-18(16)22-21(17)25/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyUBRBELJPRPHQKR-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110418371
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331051
methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110331037
methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110354113
3-(2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110331033
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 60564582
N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110406225
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
CID 110331249
N-(5-chloro-2-methoxyphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110356008
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide (CID 110355986) is N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide is CCc1cccc(C)c1NC(=O)CCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is UBRBELJPRPHQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-15-9-6-7-14(2)20(15)23-19(24)12-11-17-13-16-8-4-5-10-18(16)22-21(17)25/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110355986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).