6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide

C21H22N2O4 — CID 30133854

IUPAC6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(OC)cc1)cn2C
InChIInChI=1S/C21H22N2O4/c1-4-27-16-9-10-19-17(11-16)20(24)18(13-23(19)2)21(25)22-12-14-5-7-15(26-3)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,22,25)
InChIKeyKWWNERQWRBQEER-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.88
Rot. Bonds6

About 6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide

6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 30133854) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID30133854
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(OC)cc1)cn2C
InChIInChI=1S/C21H22N2O4/c1-4-27-16-9-10-19-17(11-16)20(24)18(13-23(19)2)21(25)22-12-14-5-7-15(26-3)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,22,25)
InChIKeyKWWNERQWRBQEER-UHFFFAOYSA-N
XLogP2.88
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 30134009
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
6-ethoxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 30133870
6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
CID 30133873
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide
CID 30134022
6-ethoxy-1-methyl-N-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide
CID 30134066
6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one
CID 30134004
6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30133888
6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 30133856
N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 43888799

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide (CID 30133854) is 6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide is CCOc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(OC)cc1)cn2C.
What is the InChIKey of 6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is KWWNERQWRBQEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-4-27-16-9-10-19-17(11-16)20(24)18(13-23(19)2)21(25)22-12-14-5-7-15(26-3)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,22,25).
What are the key properties of 6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide?
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30133854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).