1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide

C20H23N3O3S — CID 89188317

IUPAC1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
SMILESCCCCCCCn1c(=O)c(C(=O)Nc2nccs2)c(O)c2ccccc21
InChIInChI=1S/C20H23N3O3S/c1-2-3-4-5-8-12-23-15-10-7-6-9-14(15)17(24)16(19(23)26)18(25)22-20-21-11-13-27-20/h6-7,9-11,13,24H,2-5,8,12H2,1H3,(H,21,22,25)
InChIKeyMHCCJPOSGQNASO-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.39
Rot. Bonds8

About 1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide

1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide (PubChem CID 89188317) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
PubChem CID89188317
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
SMILESCCCCCCCn1c(=O)c(C(=O)Nc2nccs2)c(O)c2ccccc21
InChIInChI=1S/C20H23N3O3S/c1-2-3-4-5-8-12-23-15-10-7-6-9-14(15)17(24)16(19(23)26)18(25)22-20-21-11-13-27-20/h6-7,9-11,13,24H,2-5,8,12H2,1H3,(H,21,22,25)
InChIKeyMHCCJPOSGQNASO-UHFFFAOYSA-N
XLogP4.39
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
CID 54682093
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 54676094
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide
CID 54686345
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54677434
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679528
4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 54687736
3-butyl-4-oxo-N-(1,3-thiazol-2-yl)phthalazine-1-carboxamide
CID 2679207
N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98294771

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide?
The IUPAC name of 1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide (CID 89188317) is 1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide is CCCCCCCn1c(=O)c(C(=O)Nc2nccs2)c(O)c2ccccc21.
What is the InChIKey of 1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide?
The InChIKey is MHCCJPOSGQNASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-3-4-5-8-12-23-15-10-7-6-9-14(15)17(24)16(19(23)26)18(25)22-20-21-11-13-27-20/h6-7,9-11,13,24H,2-5,8,12H2,1H3,(H,21,22,25).
What are the key properties of 1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide?
1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 89188317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).