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

C28H38N6O — CID 121475430

IUPAC6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine
SMILESCc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCc1ccccc1
InChIInChI=1S/C28H38N6O/c1-21-18-24-25(19-26(21)35-20-22-8-5-4-6-9-22)30-28(34-13-7-12-32(2)16-17-34)31-27(24)29-23-10-14-33(3)15-11-23/h4-6,8-9,18-19,23H,7,10-17,20H2,1-3H3,(H,29,30,31)
InChIKeyNKVDEFIRMHZJBL-UHFFFAOYSA-N
MW474.65 g/mol
LogP4.17
Rot. Bonds6

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

6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine (PubChem CID 121475430) has the molecular formula C28H38N6O and a molecular weight of 474.65 g/mol. Its IUPAC name is 6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine
PubChem CID121475430
Molecular FormulaC28H38N6O
Molecular Weight474.65 g/mol
Exact Mass474.31
IUPAC Name6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine
SMILESCc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCc1ccccc1
InChIInChI=1S/C28H38N6O/c1-21-18-24-25(19-26(21)35-20-22-8-5-4-6-9-22)30-28(34-13-7-12-32(2)16-17-34)31-27(24)29-23-10-14-33(3)15-11-23/h4-6,8-9,18-19,23H,7,10-17,20H2,1-3H3,(H,29,30,31)
InChIKeyNKVDEFIRMHZJBL-UHFFFAOYSA-N
XLogP4.17
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-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-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine?
The IUPAC name of 6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine (CID 121475430) is 6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine.
What is the SMILES notation for 6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine?
The canonical SMILES for 6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine is Cc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCc1ccccc1.
What is the InChIKey of 6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine?
The InChIKey is NKVDEFIRMHZJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O/c1-21-18-24-25(19-26(21)35-20-22-8-5-4-6-9-22)30-28(34-13-7-12-32(2)16-17-34)31-27(24)29-23-10-14-33(3)15-11-23/h4-6,8-9,18-19,23H,7,10-17,20H2,1-3H3,(H,29,30,31).
What are the key properties of 6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine?
6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine has a molecular weight of 474.65 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine is sourced from PubChem (CID 121475430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).