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

C20H19N3OS — CID 139572275

IUPAC6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one
SMILESCc1ccc2sc3c(NCCCN)nc4ccccc4c3c(=O)c2c1
InChIInChI=1S/C20H19N3OS/c1-12-7-8-16-14(11-12)18(24)17-13-5-2-3-6-15(13)23-20(19(17)25-16)22-10-4-9-21/h2-3,5-8,11H,4,9-10,21H2,1H3,(H,22,23)
InChIKeyQYRVHIUYYGUEAM-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.03
Rot. Bonds4

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

6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one (PubChem CID 139572275) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one
PubChem CID139572275
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one
SMILESCc1ccc2sc3c(NCCCN)nc4ccccc4c3c(=O)c2c1
InChIInChI=1S/C20H19N3OS/c1-12-7-8-16-14(11-12)18(24)17-13-5-2-3-6-15(13)23-20(19(17)25-16)22-10-4-9-21/h2-3,5-8,11H,4,9-10,21H2,1H3,(H,22,23)
InChIKeyQYRVHIUYYGUEAM-UHFFFAOYSA-N
XLogP4.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.03
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)-10-methylthiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one (CID 139572275) is 6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one is Cc1ccc2sc3c(NCCCN)nc4ccccc4c3c(=O)c2c1.
What is the InChIKey of 6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one?
The InChIKey is QYRVHIUYYGUEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-12-7-8-16-14(11-12)18(24)17-13-5-2-3-6-15(13)23-20(19(17)25-16)22-10-4-9-21/h2-3,5-8,11H,4,9-10,21H2,1H3,(H,22,23).
What are the key properties of 6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one?
6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one has a molecular weight of 349.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 139572275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).