1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide

C17H17N3O3S — CID 27245376

IUPAC1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nc(C)cs2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C17H17N3O3S/c1-4-20-8-13(16(22)19-17-18-10(2)9-24-17)15(21)12-7-11(23-3)5-6-14(12)20/h5-9H,4H2,1-3H3,(H,18,19,22)
InChIKeyCFFTYGYDSGXDQD-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.05
Rot. Bonds4

About 1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide

1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide (PubChem CID 27245376) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide
PubChem CID27245376
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nc(C)cs2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C17H17N3O3S/c1-4-20-8-13(16(22)19-17-18-10(2)9-24-17)15(21)12-7-11(23-3)5-6-14(12)20/h5-9H,4H2,1-3H3,(H,18,19,22)
InChIKeyCFFTYGYDSGXDQD-UHFFFAOYSA-N
XLogP3.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-6-methoxy-N-(6-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27243880
1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide
CID 42570073
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
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938
N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 42582572
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 39850819
N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39851001
N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 43888757
N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133022

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide (CID 27245376) is 1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2nc(C)cs2)c(=O)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide?
The InChIKey is CFFTYGYDSGXDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-4-20-8-13(16(22)19-17-18-10(2)9-24-17)15(21)12-7-11(23-3)5-6-14(12)20/h5-9H,4H2,1-3H3,(H,18,19,22).
What are the key properties of 1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide?
1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 27245376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).