6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine

C25H33N7O2 — CID 71738474

IUPAC6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4ccccn4)CC3)nc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C25H33N7O2/c1-30-10-7-18(8-11-30)27-24-19-16-21(33-2)22(34-3)17-20(19)28-25(29-24)32-14-12-31(13-15-32)23-6-4-5-9-26-23/h4-6,9,16-18H,7-8,10-15H2,1-3H3,(H,27,28,29)
InChIKeyRCHZOTBRQPLPQX-UHFFFAOYSA-N
MW463.59 g/mol
LogP2.87
Rot. Bonds6

About 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine

6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 71738474) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
PubChem CID71738474
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4ccccn4)CC3)nc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C25H33N7O2/c1-30-10-7-18(8-11-30)27-24-19-16-21(33-2)22(34-3)17-20(19)28-25(29-24)32-14-12-31(13-15-32)23-6-4-5-9-26-23/h4-6,9,16-18H,7-8,10-15H2,1-3H3,(H,27,28,29)
InChIKeyRCHZOTBRQPLPQX-UHFFFAOYSA-N
XLogP2.87
TPSA78.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-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 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine (CID 71738474) is 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine is COc1cc2nc(N3CCN(c4ccccn4)CC3)nc(NC3CCN(C)CC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is RCHZOTBRQPLPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-30-10-7-18(8-11-30)27-24-19-16-21(33-2)22(34-3)17-20(19)28-25(29-24)32-14-12-31(13-15-32)23-6-4-5-9-26-23/h4-6,9,16-18H,7-8,10-15H2,1-3H3,(H,27,28,29).
What are the key properties of 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 463.59 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 71738474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).