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

C26H22N2O3 — CID 18887696

IUPAC2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one
SMILESCCOc1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c2ccccc32)cc1
InChIInChI=1S/C26H22N2O3/c1-3-30-19-15-13-17(14-16-19)22-23-24(31-25(22)27-18-9-5-4-6-10-18)20-11-7-8-12-21(20)28(2)26(23)29/h4-16,27H,3H2,1-2H3
InChIKeyPHORDAVYARKTCF-UHFFFAOYSA-N
MW410.47 g/mol
LogP6.09
Rot. Bonds5

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

2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one (PubChem CID 18887696) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one
PubChem CID18887696
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one
SMILESCCOc1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c2ccccc32)cc1
InChIInChI=1S/C26H22N2O3/c1-3-30-19-15-13-17(14-16-19)22-23-24(31-25(22)27-18-9-5-4-6-10-18)20-11-7-8-12-21(20)28(2)26(23)29/h4-16,27H,3H2,1-2H3
InChIKeyPHORDAVYARKTCF-UHFFFAOYSA-N
XLogP6.09
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one?
The IUPAC name of 2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one (CID 18887696) is 2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one?
The canonical SMILES for 2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one is CCOc1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c2ccccc32)cc1.
What is the InChIKey of 2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one?
The InChIKey is PHORDAVYARKTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-3-30-19-15-13-17(14-16-19)22-23-24(31-25(22)27-18-9-5-4-6-10-18)20-11-7-8-12-21(20)28(2)26(23)29/h4-16,27H,3H2,1-2H3.
What are the key properties of 2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one?
2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one has a molecular weight of 410.47 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one is sourced from PubChem (CID 18887696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).