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

C19H15ClN2OS — CID 90646724

IUPAC10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one
SMILESCCCNc1nc2ccccc2c2c(=O)c3cc(Cl)ccc3sc12
InChIInChI=1S/C19H15ClN2OS/c1-2-9-21-19-18-16(12-5-3-4-6-14(12)22-19)17(23)13-10-11(20)7-8-15(13)24-18/h3-8,10H,2,9H2,1H3,(H,21,22)
InChIKeyZLYADJCHIBOFRM-UHFFFAOYSA-N
MW354.86 g/mol
LogP5.44
Rot. Bonds3

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

10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one (PubChem CID 90646724) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is 10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one
PubChem CID90646724
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one
SMILESCCCNc1nc2ccccc2c2c(=O)c3cc(Cl)ccc3sc12
InChIInChI=1S/C19H15ClN2OS/c1-2-9-21-19-18-16(12-5-3-4-6-14(12)22-19)17(23)13-10-11(20)7-8-15(13)24-18/h3-8,10H,2,9H2,1H3,(H,21,22)
InChIKeyZLYADJCHIBOFRM-UHFFFAOYSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.44
H-Bond Donors ≤ 51
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'}

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Related Compounds

6-(3-Aminopropylamino)-8-chlorothiochromeno[2,3-c]quinolin-12-one
CID 139572265
6-(2-Aminoethylamino)-8-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one
CID 146501120
N-[2-(4-Chlorophenyl)ethyl]-2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxamide
CID 15990908
6-(3-Aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one
CID 139572275
6-(3-Aminopropylamino)-10-fluorothiochromeno[2,3-c]quinolin-12-one
CID 139572346
6-(3-Aminopropylamino)-10-chlorothiochromeno[2,3-c]quinolin-12-one
CID 139572444
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide
CID 15990847
9-Chloro-6-(4-hydroxypiperidin-1-yl)thiochromeno[2,3-c]quinolin-12-one
CID 122192883
9-Chloro-6-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]thiochromeno[2,3-c]quinolin-12-one
CID 122192886
9-Chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
CID 122192946
9-Chloro-6-(4-methylpiperazin-1-yl)thiochromeno[2,3-c]quinolin-12-one
CID 122192947
6-(Ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one
CID 139572271

Frequently Asked Questions

What is the IUPAC name of 10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one (CID 90646724) is 10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one is CCCNc1nc2ccccc2c2c(=O)c3cc(Cl)ccc3sc12.
What is the InChIKey of 10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one?
The InChIKey is ZLYADJCHIBOFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c1-2-9-21-19-18-16(12-5-3-4-6-14(12)22-19)17(23)13-10-11(20)7-8-15(13)24-18/h3-8,10H,2,9H2,1H3,(H,21,22).
What are the key properties of 10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one?
10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one has a molecular weight of 354.86 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 90646724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).