N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide

C21H22N2O4 — CID 43813806

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c[nH]c3c(C)cccc3c2=O)cc1OC
InChIInChI=1S/C21H22N2O4/c1-13-5-4-6-15-19(13)23-12-16(20(15)24)21(25)22-10-9-14-7-8-17(26-2)18(11-14)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKKTYENYFTWJEPA-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 43813806) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID43813806
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c[nH]c3c(C)cccc3c2=O)cc1OC
InChIInChI=1S/C21H22N2O4/c1-13-5-4-6-15-19(13)23-12-16(20(15)24)21(25)22-10-9-14-7-8-17(26-2)18(11-14)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKKTYENYFTWJEPA-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701203
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 91641164
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 9404380
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27448407
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4-trimethylbenzamide
CID 4730559
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzamide
CID 38007326
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
CID 9270076
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide (CID 43813806) is N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide is COc1ccc(CCNC(=O)c2c[nH]c3c(C)cccc3c2=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is KKTYENYFTWJEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-5-4-6-15-19(13)23-12-16(20(15)24)21(25)22-10-9-14-7-8-17(26-2)18(11-14)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 43813806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).