N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine

C30H35N7O2 — CID 71738544

IUPACN-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4ccccn4)CC3)nc(NC3CCN(Cc4ccccc4)C3)c2cc1OC
InChIInChI=1S/C30H35N7O2/c1-38-26-18-24-25(19-27(26)39-2)33-30(37-16-14-36(15-17-37)28-10-6-7-12-31-28)34-29(24)32-23-11-13-35(21-23)20-22-8-4-3-5-9-22/h3-10,12,18-19,23H,11,13-17,20-21H2,1-2H3,(H,32,33,34)
InChIKeyBISKCGBQRVAUOG-UHFFFAOYSA-N
MW525.66 g/mol
LogP4.05
Rot. Bonds8

About N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine

N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 71738544) has the molecular formula C30H35N7O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
PubChem CID71738544
Molecular FormulaC30H35N7O2
Molecular Weight525.66 g/mol
Exact Mass525.29
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4ccccn4)CC3)nc(NC3CCN(Cc4ccccc4)C3)c2cc1OC
InChIInChI=1S/C30H35N7O2/c1-38-26-18-24-25(19-27(26)39-2)33-30(37-16-14-36(15-17-37)28-10-6-7-12-31-28)34-29(24)32-23-11-13-35(21-23)20-22-8-4-3-5-9-22/h3-10,12,18-19,23H,11,13-17,20-21H2,1-2H3,(H,32,33,34)
InChIKeyBISKCGBQRVAUOG-UHFFFAOYSA-N
XLogP4.05
TPSA78.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-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 N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine (CID 71738544) is N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine is COc1cc2nc(N3CCN(c4ccccn4)CC3)nc(NC3CCN(Cc4ccccc4)C3)c2cc1OC.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is BISKCGBQRVAUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2/c1-38-26-18-24-25(19-27(26)39-2)33-30(37-16-14-36(15-17-37)28-10-6-7-12-31-28)34-29(24)32-23-11-13-35(21-23)20-22-8-4-3-5-9-22/h3-10,12,18-19,23H,11,13-17,20-21H2,1-2H3,(H,32,33,34).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 525.66 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-6,7-dimethoxy-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 71738544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).