1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide

C19H19N3O3 — CID 27260830

IUPAC1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(C)ccn2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C19H19N3O3/c1-4-22-11-15(19(24)21-17-9-12(2)7-8-20-17)18(23)14-10-13(25-3)5-6-16(14)22/h5-11H,4H2,1-3H3,(H,20,21,24)
InChIKeyBXMDKPYAESEQRT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.99
Rot. Bonds4

About 1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide

1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide (PubChem CID 27260830) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
PubChem CID27260830
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(C)ccn2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C19H19N3O3/c1-4-22-11-15(19(24)21-17-9-12(2)7-8-20-17)18(23)14-10-13(25-3)5-6-16(14)22/h5-11H,4H2,1-3H3,(H,20,21,24)
InChIKeyBXMDKPYAESEQRT-UHFFFAOYSA-N
XLogP2.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-6-methoxy-N-(6-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27243880
1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide
CID 27245376
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide
CID 42570073
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938
N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133112
N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 42582572
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
N-(2,5-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850934
N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39851001

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide (CID 27260830) is 1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2cc(C)ccn2)c(=O)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is BXMDKPYAESEQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-4-22-11-15(19(24)21-17-9-12(2)7-8-20-17)18(23)14-10-13(25-3)5-6-16(14)22/h5-11H,4H2,1-3H3,(H,20,21,24).
What are the key properties of 1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide?
1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 27260830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).