1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide

C16H17N3O3S — CID 54679710

IUPAC1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(O)c2c(n(C3CC3)c1=O)CCCC2
InChIInChI=1S/C16H17N3O3S/c20-13-10-3-1-2-4-11(10)19(9-5-6-9)15(22)12(13)14(21)18-16-17-7-8-23-16/h7-9,20H,1-6H2,(H,17,18,21)
InChIKeyYXSOQGYKKCBUPN-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.48
Rot. Bonds3

About 1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide

1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 54679710) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID54679710
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(O)c2c(n(C3CC3)c1=O)CCCC2
InChIInChI=1S/C16H17N3O3S/c20-13-10-3-1-2-4-11(10)19(9-5-6-9)15(22)12(13)14(21)18-16-17-7-8-23-16/h7-9,20H,1-6H2,(H,17,18,21)
InChIKeyYXSOQGYKKCBUPN-UHFFFAOYSA-N
XLogP2.48
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

2-[[1-cyclohexyl-2,4-dihydroxy-6-oxo-5-(1,3-thiazol-2-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
CID 58238195
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CID 1369561
N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
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CID 3359610
4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(1,3-thiazol-2-yl)benzamide
CID 98122992
N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 88759235
3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946395
1-cyclopentyl-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17081286
cis-(1R,2S)-2-[[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6980152
1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 89188317
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 2867614
3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 126948219

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 54679710) is 1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide is O=C(Nc1nccs1)c1c(O)c2c(n(C3CC3)c1=O)CCCC2.
What is the InChIKey of 1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is YXSOQGYKKCBUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-13-10-3-1-2-4-11(10)19(9-5-6-9)15(22)12(13)14(21)18-16-17-7-8-23-16/h7-9,20H,1-6H2,(H,17,18,21).
What are the key properties of 1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 54679710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).