N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide

C20H19N3O3 — CID 31859590

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(CC(N)=O)cc3)c(C)nc2c1
InChIInChI=1S/C20H19N3O3/c1-12-17(10-14-5-8-16(26-2)11-18(14)22-12)20(25)23-15-6-3-13(4-7-15)9-19(21)24/h3-8,10-11H,9H2,1-2H3,(H2,21,24)(H,23,25)
InChIKeyYIMQPUMTWDPHDU-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.83
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 31859590) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID31859590
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(CC(N)=O)cc3)c(C)nc2c1
InChIInChI=1S/C20H19N3O3/c1-12-17(10-14-5-8-16(26-2)11-18(14)22-12)20(25)23-15-6-3-13(4-7-15)9-19(21)24/h3-8,10-11H,9H2,1-2H3,(H2,21,24)(H,23,25)
InChIKeyYIMQPUMTWDPHDU-UHFFFAOYSA-N
XLogP2.83
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 17488486
N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 34319138
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate
CID 41499824
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide
CID 51277603
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 39862992

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide (CID 31859590) is N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3ccc(CC(N)=O)cc3)c(C)nc2c1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is YIMQPUMTWDPHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-17(10-14-5-8-16(26-2)11-18(14)22-12)20(25)23-15-6-3-13(4-7-15)9-19(21)24/h3-8,10-11H,9H2,1-2H3,(H2,21,24)(H,23,25).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 31859590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).