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

C17H17N3O2S — CID 42534269

IUPAC1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide
SMILESCCn1c(C)cc(=O)c2cc(C(=O)Nc3nc(C)cs3)ccc21
InChIInChI=1S/C17H17N3O2S/c1-4-20-11(3)7-15(21)13-8-12(5-6-14(13)20)16(22)19-17-18-10(2)9-23-17/h5-9H,4H2,1-3H3,(H,18,19,22)
InChIKeyQPWGELHTNGLJDZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.35
Rot. Bonds3

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

1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide (PubChem CID 42534269) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide
PubChem CID42534269
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide
SMILESCCn1c(C)cc(=O)c2cc(C(=O)Nc3nc(C)cs3)ccc21
InChIInChI=1S/C17H17N3O2S/c1-4-20-11(3)7-15(21)13-8-12(5-6-14(13)20)16(22)19-17-18-10(2)9-23-17/h5-9H,4H2,1-3H3,(H,18,19,22)
InChIKeyQPWGELHTNGLJDZ-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42537474
N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849595
1-ethyl-2-methyl-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-6-carboxamide
CID 27260849
N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849579
N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849384
N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42534786
4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7326262
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide
CID 24568998
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide?
The IUPAC name of 1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide (CID 42534269) is 1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide?
The canonical SMILES for 1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide is CCn1c(C)cc(=O)c2cc(C(=O)Nc3nc(C)cs3)ccc21.
What is the InChIKey of 1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide?
The InChIKey is QPWGELHTNGLJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-4-20-11(3)7-15(21)13-8-12(5-6-14(13)20)16(22)19-17-18-10(2)9-23-17/h5-9H,4H2,1-3H3,(H,18,19,22).
What are the key properties of 1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide?
1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide is sourced from PubChem (CID 42534269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).