4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

C32H43N5O4 — CID 11039013

IUPAC4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCC1CCCCC1
InChIInChI=1S/C32H43N5O4/c1-23(2)41-26-13-11-25(12-14-26)35-32(38)37-17-15-36(16-18-37)31-27-20-29(39-3)30(21-28(27)33-22-34-31)40-19-7-10-24-8-5-4-6-9-24/h11-14,20-24H,4-10,15-19H2,1-3H3,(H,35,38)
InChIKeyARFXFEPBCIHGEB-UHFFFAOYSA-N
MW561.73 g/mol
LogP6.52
Rot. Bonds10

About 4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 11039013) has the molecular formula C32H43N5O4 and a molecular weight of 561.73 g/mol. Its IUPAC name is 4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID11039013
Molecular FormulaC32H43N5O4
Molecular Weight561.73 g/mol
Exact Mass561.33
IUPAC Name4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCC1CCCCC1
InChIInChI=1S/C32H43N5O4/c1-23(2)41-26-13-11-25(12-14-26)35-32(38)37-17-15-36(16-18-37)31-27-20-29(39-3)30(21-28(27)33-22-34-31)40-19-7-10-24-8-5-4-6-9-24/h11-14,20-24H,4-10,15-19H2,1-3H3,(H,35,38)
InChIKeyARFXFEPBCIHGEB-UHFFFAOYSA-N
XLogP6.52
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide 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-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 11039013) is 4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCC1CCCCC1.
What is the InChIKey of 4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is ARFXFEPBCIHGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5O4/c1-23(2)41-26-13-11-25(12-14-26)35-32(38)37-17-15-36(16-18-37)31-27-20-29(39-3)30(21-28(27)33-22-34-31)40-19-7-10-24-8-5-4-6-9-24/h11-14,20-24H,4-10,15-19H2,1-3H3,(H,35,38).
What are the key properties of 4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?
4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 561.73 g/mol, XLogP of 6.52, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-cyclohexylpropoxy)-6-methoxyquinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11039013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).