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

C25H19ClN2O2 — CID 18887774

IUPAC2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2c(-c3ccc(Cl)cc3)c(NCc3ccccc3)oc2c2ccccc21
InChIInChI=1S/C25H19ClN2O2/c1-28-20-10-6-5-9-19(20)23-22(25(28)29)21(17-11-13-18(26)14-12-17)24(30-23)27-15-16-7-3-2-4-8-16/h2-14,27H,15H2,1H3
InChIKeyUBGIRQMJYZWVQQ-UHFFFAOYSA-N
MW414.89 g/mol
LogP6.22
Rot. Bonds4

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

2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one (PubChem CID 18887774) has the molecular formula C25H19ClN2O2 and a molecular weight of 414.89 g/mol. Its IUPAC name is 2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
PubChem CID18887774
Molecular FormulaC25H19ClN2O2
Molecular Weight414.89 g/mol
Exact Mass414.11
IUPAC Name2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2c(-c3ccc(Cl)cc3)c(NCc3ccccc3)oc2c2ccccc21
InChIInChI=1S/C25H19ClN2O2/c1-28-20-10-6-5-9-19(20)23-22(25(28)29)21(17-11-13-18(26)14-12-17)24(30-23)27-15-16-7-3-2-4-8-16/h2-14,27H,15H2,1H3
InChIKeyUBGIRQMJYZWVQQ-UHFFFAOYSA-N
XLogP6.22
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one?
The IUPAC name of 2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one (CID 18887774) is 2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one?
The canonical SMILES for 2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one is Cn1c(=O)c2c(-c3ccc(Cl)cc3)c(NCc3ccccc3)oc2c2ccccc21.
What is the InChIKey of 2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one?
The InChIKey is UBGIRQMJYZWVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O2/c1-28-20-10-6-5-9-19(20)23-22(25(28)29)21(17-11-13-18(26)14-12-17)24(30-23)27-15-16-7-3-2-4-8-16/h2-14,27H,15H2,1H3.
What are the key properties of 2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one?
2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one has a molecular weight of 414.89 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one is sourced from PubChem (CID 18887774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).