10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one

C20H16ClN3OS — CID 90646534

IUPAC10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
SMILESO=c1c2cc(Cl)ccc2sc2c(N3CCNCC3)nc3ccccc3c12
InChIInChI=1S/C20H16ClN3OS/c21-12-5-6-16-14(11-12)18(25)17-13-3-1-2-4-15(13)23-20(19(17)26-16)24-9-7-22-8-10-24/h1-6,11,22H,7-10H2
InChIKeyPCNVXSYOTFIZLG-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.03
Rot. Bonds1

About 10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one

10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one (PubChem CID 90646534) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is 10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
PubChem CID90646534
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC Name10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
SMILESO=c1c2cc(Cl)ccc2sc2c(N3CCNCC3)nc3ccccc3c12
InChIInChI=1S/C20H16ClN3OS/c21-12-5-6-16-14(11-12)18(25)17-13-3-1-2-4-15(13)23-20(19(17)26-16)24-9-7-22-8-10-24/h1-6,11,22H,7-10H2
InChIKeyPCNVXSYOTFIZLG-UHFFFAOYSA-N
XLogP4.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-chloro-6-piperazin-1-ylthiochromeno[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

9-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
CID 122192946
6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one
CID 90646627
8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
CID 163325141
6-(4-ethylpiperazin-1-yl)-10-fluorothiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-morpholin-4-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one;10-fluoro-6-piperidin-1-ylthiochromeno[2,3-c]quinolin-12-one
CID 159841671
10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione
CID 90646445
8-chloro-4-(1,4-diazepan-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 66740315
5-chloro-3-piperazin-1-yl-1,2-benzothiazole
CID 71314805
6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one
CID 59995581
3-chloro-1-piperazin-1-ylisoquinoline
CID 23155794
2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19763543
10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one
CID 146501121
but-2-enedioic acid;6-chloro-2-piperazin-1-yl-1,3-benzothiazole
CID 68654648

Frequently Asked Questions

What is the IUPAC name of 10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one (CID 90646534) is 10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one is O=c1c2cc(Cl)ccc2sc2c(N3CCNCC3)nc3ccccc3c12.
What is the InChIKey of 10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one?
The InChIKey is PCNVXSYOTFIZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c21-12-5-6-16-14(11-12)18(25)17-13-3-1-2-4-15(13)23-20(19(17)26-16)24-9-7-22-8-10-24/h1-6,11,22H,7-10H2.
What are the key properties of 10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one?
10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one has a molecular weight of 381.89 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 90646534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).