2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one

C24H17ClN2O2 — CID 18887685

IUPAC2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2c(-c3cccc(Cl)c3)c(Nc3ccccc3)oc2c2ccccc21
InChIInChI=1S/C24H17ClN2O2/c1-27-19-13-6-5-12-18(19)22-21(24(27)28)20(15-8-7-9-16(25)14-15)23(29-22)26-17-10-3-2-4-11-17/h2-14,26H,1H3
InChIKeyRVLIWCBITBXIBC-UHFFFAOYSA-N
MW400.87 g/mol
LogP6.35
Rot. Bonds3

About 2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one

2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one (PubChem CID 18887685) has the molecular formula C24H17ClN2O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
PubChem CID18887685
Molecular FormulaC24H17ClN2O2
Molecular Weight400.87 g/mol
Exact Mass400.10
IUPAC Name2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2c(-c3cccc(Cl)c3)c(Nc3ccccc3)oc2c2ccccc21
InChIInChI=1S/C24H17ClN2O2/c1-27-19-13-6-5-12-18(19)22-21(24(27)28)20(15-8-7-9-16(25)14-15)23(29-22)26-17-10-3-2-4-11-17/h2-14,26H,1H3
InChIKeyRVLIWCBITBXIBC-UHFFFAOYSA-N
XLogP6.35
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one?
The IUPAC name of 2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one (CID 18887685) is 2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one?
The canonical SMILES for 2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one is Cn1c(=O)c2c(-c3cccc(Cl)c3)c(Nc3ccccc3)oc2c2ccccc21.
What is the InChIKey of 2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one?
The InChIKey is RVLIWCBITBXIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2/c1-27-19-13-6-5-12-18(19)22-21(24(27)28)20(15-8-7-9-16(25)14-15)23(29-22)26-17-10-3-2-4-11-17/h2-14,26H,1H3.
What are the key properties of 2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one?
2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one has a molecular weight of 400.87 g/mol, XLogP of 6.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-(3-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one is sourced from PubChem (CID 18887685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).