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

C24H38N6O — CID 155523641

IUPAC6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine
SMILESCCCc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C24H38N6O/c1-5-7-18-16-21-20(17-22(18)31-4)23(25-19-8-12-29(3)13-9-19)27-24(26-21)30-11-6-10-28(2)14-15-30/h16-17,19H,5-15H2,1-4H3,(H,25,26,27)
InChIKeyXHNPKMDSCAGNNN-UHFFFAOYSA-N
MW426.61 g/mol
LogP3.24
Rot. Bonds6

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

6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine (PubChem CID 155523641) has the molecular formula C24H38N6O and a molecular weight of 426.61 g/mol. Its IUPAC name is 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine
PubChem CID155523641
Molecular FormulaC24H38N6O
Molecular Weight426.61 g/mol
Exact Mass426.31
IUPAC Name6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine
SMILESCCCc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C24H38N6O/c1-5-7-18-16-21-20(17-22(18)31-4)23(25-19-8-12-29(3)13-9-19)27-24(26-21)30-11-6-10-28(2)14-15-30/h16-17,19H,5-15H2,1-4H3,(H,25,26,27)
InChIKeyXHNPKMDSCAGNNN-UHFFFAOYSA-N
XLogP3.24
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-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-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine?
The IUPAC name of 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine (CID 155523641) is 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine.
What is the SMILES notation for 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine?
The canonical SMILES for 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine is CCCc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC.
What is the InChIKey of 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine?
The InChIKey is XHNPKMDSCAGNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O/c1-5-7-18-16-21-20(17-22(18)31-4)23(25-19-8-12-29(3)13-9-19)27-24(26-21)30-11-6-10-28(2)14-15-30/h16-17,19H,5-15H2,1-4H3,(H,25,26,27).
What are the key properties of 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine?
6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine has a molecular weight of 426.61 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine is sourced from PubChem (CID 155523641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).