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

C19H16N2OS — CID 139572271

IUPAC6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one
SMILESCCNc1nc2ccccc2c2c(=O)c3cc(C)ccc3sc12
InChIInChI=1S/C19H16N2OS/c1-3-20-19-18-16(12-6-4-5-7-14(12)21-19)17(22)13-10-11(2)8-9-15(13)23-18/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyVRLNAYSPVPIIAM-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.70
Rot. Bonds2

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

6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one (PubChem CID 139572271) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one
PubChem CID139572271
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one
SMILESCCNc1nc2ccccc2c2c(=O)c3cc(C)ccc3sc12
InChIInChI=1S/C19H16N2OS/c1-3-20-19-18-16(12-6-4-5-7-14(12)21-19)17(22)13-10-11(2)8-9-15(13)23-18/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyVRLNAYSPVPIIAM-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.70
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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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one (CID 139572271) is 6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one is CCNc1nc2ccccc2c2c(=O)c3cc(C)ccc3sc12.
What is the InChIKey of 6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one?
The InChIKey is VRLNAYSPVPIIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-3-20-19-18-16(12-6-4-5-7-14(12)21-19)17(22)13-10-11(2)8-9-15(13)23-18/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of 6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one?
6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one has a molecular weight of 320.42 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-10-methylthiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 139572271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).