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

C21H32N6O — CID 155524518

IUPAC6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
SMILESCOc1ccc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2c1
InChIInChI=1S/C21H32N6O/c1-25-9-4-10-27(14-13-25)21-23-19-6-5-17(28-3)15-18(19)20(24-21)22-16-7-11-26(2)12-8-16/h5-6,15-16H,4,7-14H2,1-3H3,(H,22,23,24)
InChIKeyQEYKCGZYSPBLEO-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.29
Rot. Bonds4

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

6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine (PubChem CID 155524518) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
PubChem CID155524518
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
SMILESCOc1ccc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2c1
InChIInChI=1S/C21H32N6O/c1-25-9-4-10-27(14-13-25)21-23-19-6-5-17(28-3)15-18(19)20(24-21)22-16-7-11-26(2)12-8-16/h5-6,15-16H,4,7-14H2,1-3H3,(H,22,23,24)
InChIKeyQEYKCGZYSPBLEO-UHFFFAOYSA-N
XLogP2.29
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The IUPAC name of 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine (CID 155524518) is 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine is COc1ccc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2c1.
What is the InChIKey of 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
The InChIKey is QEYKCGZYSPBLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-25-9-4-10-27(14-13-25)21-23-19-6-5-17(28-3)15-18(19)20(24-21)22-16-7-11-26(2)12-8-16/h5-6,15-16H,4,7-14H2,1-3H3,(H,22,23,24).
What are the key properties of 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine?
6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine has a molecular weight of 384.53 g/mol, XLogP of 2.29, 4 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)quinazolin-4-amine is sourced from PubChem (CID 155524518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).