4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine

C29H32N4O2 — CID 69015363

IUPAC4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine
SMILESCCOc1ccc(-c2ccc3nc(N)nc(NC4CCCCC4)c3c2)cc1OCc1ccccc1
InChIInChI=1S/C29H32N4O2/c1-2-34-26-16-14-22(18-27(26)35-19-20-9-5-3-6-10-20)21-13-15-25-24(17-21)28(33-29(30)32-25)31-23-11-7-4-8-12-23/h3,5-6,9-10,13-18,23H,2,4,7-8,11-12,19H2,1H3,(H3,30,31,32,33)
InChIKeyIVLHSYABKBORRV-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.60
Rot. Bonds8

About 4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine

4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine (PubChem CID 69015363) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine
PubChem CID69015363
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine
SMILESCCOc1ccc(-c2ccc3nc(N)nc(NC4CCCCC4)c3c2)cc1OCc1ccccc1
InChIInChI=1S/C29H32N4O2/c1-2-34-26-16-14-22(18-27(26)35-19-20-9-5-3-6-10-20)21-13-15-25-24(17-21)28(33-29(30)32-25)31-23-11-7-4-8-12-23/h3,5-6,9-10,13-18,23H,2,4,7-8,11-12,19H2,1H3,(H3,30,31,32,33)
InChIKeyIVLHSYABKBORRV-UHFFFAOYSA-N
XLogP6.60
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)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-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine (CID 69015363) is 4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine is CCOc1ccc(-c2ccc3nc(N)nc(NC4CCCCC4)c3c2)cc1OCc1ccccc1.
What is the InChIKey of 4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is IVLHSYABKBORRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-2-34-26-16-14-22(18-27(26)35-19-20-9-5-3-6-10-20)21-13-15-25-24(17-21)28(33-29(30)32-25)31-23-11-7-4-8-12-23/h3,5-6,9-10,13-18,23H,2,4,7-8,11-12,19H2,1H3,(H3,30,31,32,33).
What are the key properties of 4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine?
4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 468.60 g/mol, XLogP of 6.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 69015363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).