N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide

C21H22N2O2 — CID 39764939

IUPACN-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
SMILESCc1cc(C)c2c(c1)c(C)cc(=O)n2CCC(=O)Nc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-14-11-16(3)21-18(12-14)15(2)13-20(25)23(21)10-9-19(24)22-17-7-5-4-6-8-17/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)
InChIKeyDMBDMNNJBOSHHZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.96
Rot. Bonds4

About N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide

N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide (PubChem CID 39764939) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
PubChem CID39764939
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
SMILESCc1cc(C)c2c(c1)c(C)cc(=O)n2CCC(=O)Nc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-14-11-16(3)21-18(12-14)15(2)13-20(25)23(21)10-9-19(24)22-17-7-5-4-6-8-17/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)
InChIKeyDMBDMNNJBOSHHZ-UHFFFAOYSA-N
XLogP3.96
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768322
3-(4-methyl-2-oxoquinolin-1-yl)-N-phenylpropanamide
CID 39763922
3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 39764526
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 39765036
2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 39768438
N-(3,4-dimethylphenyl)-3-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39765354
2-[3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propyl]isoindole-1,3-dione
CID 39768357
N-(2,6-dimethylphenyl)-3-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39765352
N-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 42390776
N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763926
N-(2,6-diethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763943
N-(4-acetylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306760

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide (CID 39764939) is N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide is Cc1cc(C)c2c(c1)c(C)cc(=O)n2CCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide?
The InChIKey is DMBDMNNJBOSHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-11-16(3)21-18(12-14)15(2)13-20(25)23(21)10-9-19(24)22-17-7-5-4-6-8-17/h4-8,11-13H,9-10H2,1-3H3,(H,22,24).
What are the key properties of N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide?
N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 39764939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).