N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide

C23H26N2O2 — CID 1453705

IUPACN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C23H26N2O2/c1-5-21(26)25(13-18-9-6-15(2)7-10-18)14-20-12-19-11-8-16(3)17(4)22(19)24-23(20)27/h6-12H,5,13-14H2,1-4H3,(H,24,27)
InChIKeyUBNNNHIUVSPVLS-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.39
Rot. Bonds5

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 1453705) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID1453705
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C23H26N2O2/c1-5-21(26)25(13-18-9-6-15(2)7-10-18)14-20-12-19-11-8-16(3)17(4)22(19)24-23(20)27/h6-12H,5,13-14H2,1-4H3,(H,24,27)
InChIKeyUBNNNHIUVSPVLS-UHFFFAOYSA-N
XLogP4.39
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide
CID 1453682
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 1453703
N-cyclohexyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 855783
2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 23885491
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 860672
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 68900104
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(2-hydroxyethyl)thiourea
CID 3171087
1-benzyl-3-[3-(diethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3171069
N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1458883
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136
N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2022966
N-(3-hydroxypropyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 3193868

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide (CID 1453705) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide is CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O.
What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is UBNNNHIUVSPVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-5-21(26)25(13-18-9-6-15(2)7-10-18)14-20-12-19-11-8-16(3)17(4)22(19)24-23(20)27/h6-12H,5,13-14H2,1-4H3,(H,24,27).
What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide?
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 362.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 1453705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).