4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine

C25H24N4O — CID 59682688

IUPAC4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine
SMILESc1ccc(Oc2ccc(Nc3nc(NC4CCCC4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C25H24N4O/c1-2-10-20(11-3-1)30-21-16-14-19(15-17-21)27-25-28-23-13-7-6-12-22(23)24(29-25)26-18-8-4-5-9-18/h1-3,6-7,10-18H,4-5,8-9H2,(H2,26,27,28,29)
InChIKeyRWLYIZGRTDZZPT-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.52
Rot. Bonds6

About 4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine

4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine (PubChem CID 59682688) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine
PubChem CID59682688
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine
SMILESc1ccc(Oc2ccc(Nc3nc(NC4CCCC4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C25H24N4O/c1-2-10-20(11-3-1)30-21-16-14-19(15-17-21)27-25-28-23-13-7-6-12-22(23)24(29-25)26-18-8-4-5-9-18/h1-3,6-7,10-18H,4-5,8-9H2,(H2,26,27,28,29)
InChIKeyRWLYIZGRTDZZPT-UHFFFAOYSA-N
XLogP6.52
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine 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-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine (CID 59682688) is 4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine is c1ccc(Oc2ccc(Nc3nc(NC4CCCC4)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is RWLYIZGRTDZZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-2-10-20(11-3-1)30-21-16-14-19(15-17-21)27-25-28-23-13-7-6-12-22(23)24(29-25)26-18-8-4-5-9-18/h1-3,6-7,10-18H,4-5,8-9H2,(H2,26,27,28,29).
What are the key properties of 4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine?
4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 396.49 g/mol, XLogP of 6.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-(4-phenoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 59682688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).