3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one

C25H18Cl2N2O2 — CID 18887715

IUPAC3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one
SMILESCc1ccccc1Nc1oc2c(c1-c1ccc(Cl)c(Cl)c1)c(=O)n(C)c1ccccc21
InChIInChI=1S/C25H18Cl2N2O2/c1-14-7-3-5-9-19(14)28-24-21(15-11-12-17(26)18(27)13-15)22-23(31-24)16-8-4-6-10-20(16)29(2)25(22)30/h3-13,28H,1-2H3
InChIKeyHESLAXATUCXRIF-UHFFFAOYSA-N
MW449.34 g/mol
LogP7.31
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one

3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one (PubChem CID 18887715) has the molecular formula C25H18Cl2N2O2 and a molecular weight of 449.34 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one
PubChem CID18887715
Molecular FormulaC25H18Cl2N2O2
Molecular Weight449.34 g/mol
Exact Mass448.07
IUPAC Name3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one
SMILESCc1ccccc1Nc1oc2c(c1-c1ccc(Cl)c(Cl)c1)c(=O)n(C)c1ccccc21
InChIInChI=1S/C25H18Cl2N2O2/c1-14-7-3-5-9-19(14)28-24-21(15-11-12-17(26)18(27)13-15)22-23(31-24)16-8-4-6-10-20(16)29(2)25(22)30/h3-13,28H,1-2H3
InChIKeyHESLAXATUCXRIF-UHFFFAOYSA-N
XLogP7.31
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.34
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one (CID 18887715) is 3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one is Cc1ccccc1Nc1oc2c(c1-c1ccc(Cl)c(Cl)c1)c(=O)n(C)c1ccccc21.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one?
The InChIKey is HESLAXATUCXRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O2/c1-14-7-3-5-9-19(14)28-24-21(15-11-12-17(26)18(27)13-15)22-23(31-24)16-8-4-6-10-20(16)29(2)25(22)30/h3-13,28H,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one?
3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one has a molecular weight of 449.34 g/mol, XLogP of 7.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one is sourced from PubChem (CID 18887715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).