6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide

C20H20N2O3 — CID 30133873

IUPAC6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C)cc1)cn2C
InChIInChI=1S/C20H20N2O3/c1-4-25-15-9-10-18-16(11-15)19(23)17(12-22(18)3)20(24)21-14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3,(H,21,24)
InChIKeyVVGXELQHFOYSBN-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.50
Rot. Bonds4

About 6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide

6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide (PubChem CID 30133873) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
PubChem CID30133873
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C)cc1)cn2C
InChIInChI=1S/C20H20N2O3/c1-4-25-15-9-10-18-16(11-15)19(23)17(12-22(18)3)20(24)21-14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3,(H,21,24)
InChIKeyVVGXELQHFOYSBN-UHFFFAOYSA-N
XLogP3.50
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 30133870
6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30133888
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133939
6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide
CID 30134022
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
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
6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
6-ethoxy-1-methyl-N-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide
CID 30134066
6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one
CID 30133993
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide (CID 30133873) is 6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide is CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C)cc1)cn2C.
What is the InChIKey of 6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is VVGXELQHFOYSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-25-15-9-10-18-16(11-15)19(23)17(12-22(18)3)20(24)21-14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3,(H,21,24).
What are the key properties of 6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide?
6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30133873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).