5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one

C19H18ClN3OS — CID 175359499

IUPAC5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one
SMILESNCCCNN1Cc2sc3ccc(Cl)cc3c(=O)c2-c2ccccc21
InChIInChI=1S/C19H18ClN3OS/c20-12-6-7-16-14(10-12)19(24)18-13-4-1-2-5-15(13)23(11-17(18)25-16)22-9-3-8-21/h1-2,4-7,10,22H,3,8-9,11,21H2
InChIKeyXMSDDBXVRUEPJB-UHFFFAOYSA-N
MW371.89 g/mol
LogP3.76
Rot. Bonds4

About 5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one

5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one (PubChem CID 175359499) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one
PubChem CID175359499
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one
SMILESNCCCNN1Cc2sc3ccc(Cl)cc3c(=O)c2-c2ccccc21
InChIInChI=1S/C19H18ClN3OS/c20-12-6-7-16-14(10-12)19(24)18-13-4-1-2-5-15(13)23(11-17(18)25-16)22-9-3-8-21/h1-2,4-7,10,22H,3,8-9,11,21H2
InChIKeyXMSDDBXVRUEPJB-UHFFFAOYSA-N
XLogP3.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[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

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one (CID 175359499) is 5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one is NCCCNN1Cc2sc3ccc(Cl)cc3c(=O)c2-c2ccccc21.
What is the InChIKey of 5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one?
The InChIKey is XMSDDBXVRUEPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c20-12-6-7-16-14(10-12)19(24)18-13-4-1-2-5-15(13)23(11-17(18)25-16)22-9-3-8-21/h1-2,4-7,10,22H,3,8-9,11,21H2.
What are the key properties of 5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one?
5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one has a molecular weight of 371.89 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylamino)-10-chloro-6H-thiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 175359499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).