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

C19H15ClFN3OS — CID 146501119

IUPAC6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one
SMILESNCCCNc1nc2ccc(Cl)cc2c2c(=O)c3cc(F)ccc3sc12
InChIInChI=1S/C19H15ClFN3OS/c20-10-2-4-14-12(8-10)16-17(25)13-9-11(21)3-5-15(13)26-18(16)19(24-14)23-7-1-6-22/h2-5,8-9H,1,6-7,22H2,(H,23,24)
InChIKeyPNUURVVWXAVQBL-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.52
Rot. Bonds4

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

6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one (PubChem CID 146501119) has the molecular formula C19H15ClFN3OS and a molecular weight of 387.87 g/mol. Its IUPAC name is 6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one
PubChem CID146501119
Molecular FormulaC19H15ClFN3OS
Molecular Weight387.87 g/mol
Exact Mass387.06
IUPAC Name6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one
SMILESNCCCNc1nc2ccc(Cl)cc2c2c(=O)c3cc(F)ccc3sc12
InChIInChI=1S/C19H15ClFN3OS/c20-10-2-4-14-12(8-10)16-17(25)13-9-11(21)3-5-15(13)26-18(16)19(24-14)23-7-1-6-22/h2-5,8-9H,1,6-7,22H2,(H,23,24)
InChIKeyPNUURVVWXAVQBL-UHFFFAOYSA-N
XLogP4.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.52
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)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one (CID 146501119) is 6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one is NCCCNc1nc2ccc(Cl)cc2c2c(=O)c3cc(F)ccc3sc12.
What is the InChIKey of 6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one?
The InChIKey is PNUURVVWXAVQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3OS/c20-10-2-4-14-12(8-10)16-17(25)13-9-11(21)3-5-15(13)26-18(16)19(24-14)23-7-1-6-22/h2-5,8-9H,1,6-7,22H2,(H,23,24).
What are the key properties of 6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one?
6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one has a molecular weight of 387.87 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropylamino)-2-chloro-10-fluorothiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 146501119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).