3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one

C27H23BrN2O2 — CID 18887867

IUPAC3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2c(-c3ccc(Br)cc3)c(Nc3ccc(C)cc3C)oc2c2ccccc21
InChIInChI=1S/C27H23BrN2O2/c1-4-30-22-8-6-5-7-20(22)25-24(27(30)31)23(18-10-12-19(28)13-11-18)26(32-25)29-21-14-9-16(2)15-17(21)3/h5-15,29H,4H2,1-3H3
InChIKeyWIDNPYFBUCPZAS-UHFFFAOYSA-N
MW487.40 g/mol
LogP7.56
Rot. Bonds4

About 3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one

3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one (PubChem CID 18887867) has the molecular formula C27H23BrN2O2 and a molecular weight of 487.40 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one
PubChem CID18887867
Molecular FormulaC27H23BrN2O2
Molecular Weight487.40 g/mol
Exact Mass486.09
IUPAC Name3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2c(-c3ccc(Br)cc3)c(Nc3ccc(C)cc3C)oc2c2ccccc21
InChIInChI=1S/C27H23BrN2O2/c1-4-30-22-8-6-5-7-20(22)25-24(27(30)31)23(18-10-12-19(28)13-11-18)26(32-25)29-21-14-9-16(2)15-17(21)3/h5-15,29H,4H2,1-3H3
InChIKeyWIDNPYFBUCPZAS-UHFFFAOYSA-N
XLogP7.56
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one (CID 18887867) is 3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one is CCn1c(=O)c2c(-c3ccc(Br)cc3)c(Nc3ccc(C)cc3C)oc2c2ccccc21.
What is the InChIKey of 3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one?
The InChIKey is WIDNPYFBUCPZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrN2O2/c1-4-30-22-8-6-5-7-20(22)25-24(27(30)31)23(18-10-12-19(28)13-11-18)26(32-25)29-21-14-9-16(2)15-17(21)3/h5-15,29H,4H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one?
3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one has a molecular weight of 487.40 g/mol, XLogP of 7.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one is sourced from PubChem (CID 18887867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).