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

C22H24N2O2 — CID 110331632

IUPACN-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
SMILESCc1cc2cc(CCC(=O)N(C)Cc3ccccc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C22H24N2O2/c1-15-11-19-13-18(22(26)23-20(19)12-16(15)2)9-10-21(25)24(3)14-17-7-5-4-6-8-17/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,26)
InChIKeyTZJNPVBMJXXZOM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.74
Rot. Bonds5

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

N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide (PubChem CID 110331632) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
PubChem CID110331632
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
SMILESCc1cc2cc(CCC(=O)N(C)Cc3ccccc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C22H24N2O2/c1-15-11-19-13-18(22(26)23-20(19)12-16(15)2)9-10-21(25)24(3)14-17-7-5-4-6-8-17/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,26)
InChIKeyTZJNPVBMJXXZOM-UHFFFAOYSA-N
XLogP3.74
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N,N-diethylpropanamide
CID 110331658
N-methyl-3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-phenylpropanamide
CID 110331251
N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331619
1-benzyl-3-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7136903
N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide
CID 110331408
3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 1462381
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-propan-2-ylpropanamide
CID 110331604
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 110331634
1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]-3-phenylurea
CID 1462424
3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]urea
CID 1462434
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 110298967

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide (CID 110331632) is N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide is Cc1cc2cc(CCC(=O)N(C)Cc3ccccc3)c(=O)[nH]c2cc1C.
What is the InChIKey of N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide?
The InChIKey is TZJNPVBMJXXZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-11-19-13-18(22(26)23-20(19)12-16(15)2)9-10-21(25)24(3)14-17-7-5-4-6-8-17/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,26).
What are the key properties of N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide?
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 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)-N-methylpropanamide is sourced from PubChem (CID 110331632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).