6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine

C26H42N6O3 — CID 46901785

IUPAC6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
SMILESCOCCCCOc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C26H42N6O3/c1-30-10-7-11-32(15-14-30)26-28-22-19-24(35-17-6-5-16-33-3)23(34-4)18-21(22)25(29-26)27-20-8-12-31(2)13-9-20/h18-20H,5-17H2,1-4H3,(H,27,28,29)
InChIKeyUWHNICVOYXVRKH-UHFFFAOYSA-N
MW486.66 g/mol
LogP3.09
Rot. Bonds10

About 6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine

6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine (PubChem CID 46901785) has the molecular formula C26H42N6O3 and a molecular weight of 486.66 g/mol. Its IUPAC name is 6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
PubChem CID46901785
Molecular FormulaC26H42N6O3
Molecular Weight486.66 g/mol
Exact Mass486.33
IUPAC Name6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
SMILESCOCCCCOc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C26H42N6O3/c1-30-10-7-11-32(15-14-30)26-28-22-19-24(35-17-6-5-16-33-3)23(34-4)18-21(22)25(29-26)27-20-8-12-31(2)13-9-20/h18-20H,5-17H2,1-4H3,(H,27,28,29)
InChIKeyUWHNICVOYXVRKH-UHFFFAOYSA-N
XLogP3.09
TPSA75.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine 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 6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The IUPAC name of 6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine (CID 46901785) is 6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine is COCCCCOc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC.
What is the InChIKey of 6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The InChIKey is UWHNICVOYXVRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N6O3/c1-30-10-7-11-32(15-14-30)26-28-22-19-24(35-17-6-5-16-33-3)23(34-4)18-21(22)25(29-26)27-20-8-12-31(2)13-9-20/h18-20H,5-17H2,1-4H3,(H,27,28,29).
What are the key properties of 6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine has a molecular weight of 486.66 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-(4-methoxybutoxy)-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine is sourced from PubChem (CID 46901785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).