1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide

C17H18N4O3S — CID 42570073

IUPAC1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cn(CC)c3ccc(OC)cc3c2=O)s1
InChIInChI=1S/C17H18N4O3S/c1-4-14-19-20-17(25-14)18-16(23)12-9-21(5-2)13-7-6-10(24-3)8-11(13)15(12)22/h6-9H,4-5H2,1-3H3,(H,18,20,23)
InChIKeyKTQMMJRRQFZCPK-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.70
Rot. Bonds5

About 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide

1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide (PubChem CID 42570073) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide
PubChem CID42570073
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cn(CC)c3ccc(OC)cc3c2=O)s1
InChIInChI=1S/C17H18N4O3S/c1-4-14-19-20-17(25-14)18-16(23)12-9-21(5-2)13-7-6-10(24-3)8-11(13)15(12)22/h6-9H,4-5H2,1-3H3,(H,18,20,23)
InChIKeyKTQMMJRRQFZCPK-UHFFFAOYSA-N
XLogP2.70
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide
CID 27245376
1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27260830
1-ethyl-6-methoxy-N-(6-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27243880
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
6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
CID 43831767
N-(2,5-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850934
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39851001
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide (CID 42570073) is 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide is CCc1nnc(NC(=O)c2cn(CC)c3ccc(OC)cc3c2=O)s1.
What is the InChIKey of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide?
The InChIKey is KTQMMJRRQFZCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-4-14-19-20-17(25-14)18-16(23)12-9-21(5-2)13-7-6-10(24-3)8-11(13)15(12)22/h6-9H,4-5H2,1-3H3,(H,18,20,23).
What are the key properties of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide?
1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 42570073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).