1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide

C21H22N2O3 — CID 30132807

IUPAC1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(C)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C21H22N2O3/c1-4-23-13-18(20(24)17-11-16(26-3)9-10-19(17)23)21(25)22-12-15-7-5-14(2)6-8-15/h5-11,13H,4,12H2,1-3H3,(H,22,25)
InChIKeyYULCPDSQBKQLNY-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.27
Rot. Bonds5

About 1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide

1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide (PubChem CID 30132807) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
PubChem CID30132807
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(C)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C21H22N2O3/c1-4-23-13-18(20(24)17-11-16(26-3)9-10-19(17)23)21(25)22-12-15-7-5-14(2)6-8-15/h5-11,13H,4,12H2,1-3H3,(H,22,25)
InChIKeyYULCPDSQBKQLNY-UHFFFAOYSA-N
XLogP3.27
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 30132048
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27260830
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
1-ethyl-6-methoxy-N-(6-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27243880
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide
CID 27245376
N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133112
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide (CID 30132807) is 1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NCc2ccc(C)cc2)c(=O)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is YULCPDSQBKQLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-23-13-18(20(24)17-11-16(26-3)9-10-19(17)23)21(25)22-12-15-7-5-14(2)6-8-15/h5-11,13H,4,12H2,1-3H3,(H,22,25).
What are the key properties of 1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide?
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30132807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).