N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C21H22N2O4 — CID 110331152

IUPACN-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cc3cccc(C)c3[nH]c2=O)cc1OC
InChIInChI=1S/C21H22N2O4/c1-13-5-4-6-14-11-15(21(25)23-20(13)14)7-10-19(24)22-16-8-9-17(26-2)18(12-16)27-3/h4-6,8-9,11-12H,7,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXBMOJORRNZONPN-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.43
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide

N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331152) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331152
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cc3cccc(C)c3[nH]c2=O)cc1OC
InChIInChI=1S/C21H22N2O4/c1-13-5-4-6-14-11-15(21(25)23-20(13)14)7-10-19(24)22-16-8-9-17(26-2)18(12-16)27-3/h4-6,8-9,11-12H,7,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXBMOJORRNZONPN-UHFFFAOYSA-N
XLogP3.43
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331087
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
N-cyclopropyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331054
3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780
1-(3,4-dimethoxyphenyl)-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7136994
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 100599366
N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110299012
N-cyclohexyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331062
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110354113
3-methoxy-8-methyl-1H-quinolin-2-one
CID 151998755

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331152) is N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide is COc1ccc(NC(=O)CCc2cc3cccc(C)c3[nH]c2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is XBMOJORRNZONPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-5-4-6-14-11-15(21(25)23-20(13)14)7-10-19(24)22-16-8-9-17(26-2)18(12-16)27-3/h4-6,8-9,11-12H,7,10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 366.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).