6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one

C19H16ClN3OS — CID 139572265

IUPAC6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one
SMILESNCCCNc1nc2ccccc2c2c(=O)c3cccc(Cl)c3sc12
InChIInChI=1S/C19H16ClN3OS/c20-13-7-3-6-12-16(24)15-11-5-1-2-8-14(11)23-19(22-10-4-9-21)18(15)25-17(12)13/h1-3,5-8H,4,9-10,21H2,(H,22,23)
InChIKeyVXIDOEBWDLJPRM-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.38
Rot. Bonds4

About 6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one

6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one (PubChem CID 139572265) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is 6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one
PubChem CID139572265
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one
SMILESNCCCNc1nc2ccccc2c2c(=O)c3cccc(Cl)c3sc12
InChIInChI=1S/C19H16ClN3OS/c20-13-7-3-6-12-16(24)15-11-5-1-2-8-14(11)23-19(22-10-4-9-21)18(15)25-17(12)13/h1-3,5-8H,4,9-10,21H2,(H,22,23)
InChIKeyVXIDOEBWDLJPRM-UHFFFAOYSA-N
XLogP4.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one (CID 139572265) is 6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one is NCCCNc1nc2ccccc2c2c(=O)c3cccc(Cl)c3sc12.
What is the InChIKey of 6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one?
The InChIKey is VXIDOEBWDLJPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c20-13-7-3-6-12-16(24)15-11-5-1-2-8-14(11)23-19(22-10-4-9-21)18(15)25-17(12)13/h1-3,5-8H,4,9-10,21H2,(H,22,23).
What are the key properties of 6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one?
6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one has a molecular weight of 369.88 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 139572265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).