N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide

C21H22N2O2 — CID 110331627

IUPACN-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cc2cc(CCC(=O)NCc3ccccc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C21H22N2O2/c1-14-10-18-12-17(21(25)23-19(18)11-15(14)2)8-9-20(24)22-13-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyTUFKSPAMLYBNFI-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.39
Rot. Bonds5

About N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide

N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331627) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331627
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cc2cc(CCC(=O)NCc3ccccc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C21H22N2O2/c1-14-10-18-12-17(21(25)23-19(18)11-15(14)2)8-9-20(24)22-13-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyTUFKSPAMLYBNFI-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 110331634
1-benzyl-3-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7136903
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
CID 110331632
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide
CID 110331606
N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331619
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-propan-2-ylpropanamide
CID 110331604
3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 1462381
3-(1,3-benzodioxol-5-yl)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608974
3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
CID 110666107
3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]urea
CID 1462434
N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331375

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331627) is N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1cc2cc(CCC(=O)NCc3ccccc3)c(=O)[nH]c2cc1C.
What is the InChIKey of N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is TUFKSPAMLYBNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-10-18-12-17(21(25)23-19(18)11-15(14)2)8-9-20(24)22-13-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).