4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile

C32H28N4O2 — CID 23438054

IUPAC4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(-c3cccc(CN4CCOCC4)c3)ccc2c1Nc1ccc(Cc2ccoc2)cc1
InChIInChI=1S/C32H28N4O2/c33-19-28-20-34-31-18-27(26-3-1-2-24(17-26)21-36-11-14-37-15-12-36)6-9-30(31)32(28)35-29-7-4-23(5-8-29)16-25-10-13-38-22-25/h1-10,13,17-18,20,22H,11-12,14-16,21H2,(H,34,35)
InChIKeyIGAJIIIBWBNQNE-UHFFFAOYSA-N
MW500.60 g/mol
LogP6.53
Rot. Bonds7

About 4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile

4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile (PubChem CID 23438054) has the molecular formula C32H28N4O2 and a molecular weight of 500.60 g/mol. Its IUPAC name is 4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile
PubChem CID23438054
Molecular FormulaC32H28N4O2
Molecular Weight500.60 g/mol
Exact Mass500.22
IUPAC Name4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(-c3cccc(CN4CCOCC4)c3)ccc2c1Nc1ccc(Cc2ccoc2)cc1
InChIInChI=1S/C32H28N4O2/c33-19-28-20-34-31-18-27(26-3-1-2-24(17-26)21-36-11-14-37-15-12-36)6-9-30(31)32(28)35-29-7-4-23(5-8-29)16-25-10-13-38-22-25/h1-10,13,17-18,20,22H,11-12,14-16,21H2,(H,34,35)
InChIKeyIGAJIIIBWBNQNE-UHFFFAOYSA-N
XLogP6.53
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile?
The IUPAC name of 4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile (CID 23438054) is 4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile?
The canonical SMILES for 4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile is N#Cc1cnc2cc(-c3cccc(CN4CCOCC4)c3)ccc2c1Nc1ccc(Cc2ccoc2)cc1.
What is the InChIKey of 4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile?
The InChIKey is IGAJIIIBWBNQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O2/c33-19-28-20-34-31-18-27(26-3-1-2-24(17-26)21-36-11-14-37-15-12-36)6-9-30(31)32(28)35-29-7-4-23(5-8-29)16-25-10-13-38-22-25/h1-10,13,17-18,20,22H,11-12,14-16,21H2,(H,34,35).
What are the key properties of 4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile?
4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile has a molecular weight of 500.60 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-3-ylmethyl)anilino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile is sourced from PubChem (CID 23438054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).