4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide

C17H15ClN2OS — CID 6622571

IUPAC4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C17H15ClN2OS/c18-16-12-9-14(17(21)19-10-5-1-2-6-10)22-15(12)11-7-3-4-8-13(11)20-16/h3-4,7-10H,1-2,5-6H2,(H,19,21)
InChIKeyHUDVFCDOZYNJGU-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.78
Rot. Bonds2

About 4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 6622571) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID6622571
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C17H15ClN2OS/c18-16-12-9-14(17(21)19-10-5-1-2-6-10)22-15(12)11-7-3-4-8-13(11)20-16/h3-4,7-10H,1-2,5-6H2,(H,19,21)
InChIKeyHUDVFCDOZYNJGU-UHFFFAOYSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide
CID 24502669
ethyl 4-[(4-chloro-8-methylthieno[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 46256991
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
N-cyclohexyl-1-oxoisothiochromene-3-carboxamide
CID 20896749
4-chloro-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 92666311
N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326113
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
(4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6622462
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
2-amino-N-cyclohexylquinazoline-4-carboxamide
CID 24749596
N-cycloheptyl-2-methylquinazoline-4-carboxamide
CID 110702850
4-chloro-N-(2-ethylphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46256073

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide (CID 6622571) is 4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide is O=C(NC1CCCC1)c1cc2c(Cl)nc3ccccc3c2s1.
What is the InChIKey of 4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is HUDVFCDOZYNJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c18-16-12-9-14(17(21)19-10-5-1-2-6-10)22-15(12)11-7-3-4-8-13(11)20-16/h3-4,7-10H,1-2,5-6H2,(H,19,21).
What are the key properties of 4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).