6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one

C28H23ClN2OS — CID 90646627

IUPAC6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one
SMILESO=c1c2cc(Cl)ccc2sc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccc3c12
InChIInChI=1S/C28H23ClN2OS/c29-20-10-11-24-22(17-20)26(32)25-21-8-4-5-9-23(21)30-28(27(25)33-24)31-14-12-19(13-15-31)16-18-6-2-1-3-7-18/h1-11,17,19H,12-16H2
InChIKeyKGPRCGOOUFUAGT-UHFFFAOYSA-N
MW471.03 g/mol
LogP7.08
Rot. Bonds3

About 6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one

6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one (PubChem CID 90646627) has the molecular formula C28H23ClN2OS and a molecular weight of 471.03 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one
PubChem CID90646627
Molecular FormulaC28H23ClN2OS
Molecular Weight471.03 g/mol
Exact Mass470.12
IUPAC Name6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one
SMILESO=c1c2cc(Cl)ccc2sc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccc3c12
InChIInChI=1S/C28H23ClN2OS/c29-20-10-11-24-22(17-20)26(32)25-21-8-4-5-9-23(21)30-28(27(25)33-24)31-14-12-19(13-15-31)16-18-6-2-1-3-7-18/h1-11,17,19H,12-16H2
InChIKeyKGPRCGOOUFUAGT-UHFFFAOYSA-N
XLogP7.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.03
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
CID 90646534
2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole
CID 171988061
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine
CID 115473666
5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063233
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole
CID 174498305
4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline
CID 91964253
4-benzyl-1-(8-chloronaphthalen-1-yl)sulfonylpiperidine
CID 4585245
5-(4-benzylpiperidin-1-yl)-7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazoline
CID 16813284
4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
CID 15435628

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one (CID 90646627) is 6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one is O=c1c2cc(Cl)ccc2sc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccc3c12.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one?
The InChIKey is KGPRCGOOUFUAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2OS/c29-20-10-11-24-22(17-20)26(32)25-21-8-4-5-9-23(21)30-28(27(25)33-24)31-14-12-19(13-15-31)16-18-6-2-1-3-7-18/h1-11,17,19H,12-16H2.
What are the key properties of 6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one?
6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one has a molecular weight of 471.03 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 90646627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).