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

Related Compounds

Alfuzosin
CID 2092
Erlotinib
CID 176870
Vandetanib
CID 3081361
Doxazosin
CID 3157
Terazosin
CID 5401
Alfuzosin Hydrochloride
CID 71764
Erlotinib Hydrochloride
CID 176871
Tandutinib
CID 3038522
Bunazosin
CID 2472
Terazosin Hydrochloride Anhydrous
CID 44383
Icotinib
CID 22024915
Terazosin Hydrochloride
CID 63016

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).