N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine

C20H22N4O2 — CID 1281119

IUPACN-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCCC3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C20H22N4O2/c1-25-14-9-10-17(18(13-14)26-2)21-19-15-7-3-4-8-16(15)22-20(23-19)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,21,22,23)
InChIKeyZIDQHHIURCUZOD-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.99
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine

N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine (PubChem CID 1281119) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
PubChem CID1281119
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCCC3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C20H22N4O2/c1-25-14-9-10-17(18(13-14)26-2)21-19-15-7-3-4-8-16(15)22-20(23-19)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,21,22,23)
InChIKeyZIDQHHIURCUZOD-UHFFFAOYSA-N
XLogP3.99
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-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-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine (CID 1281119) is N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine is COc1ccc(Nc2nc(N3CCCC3)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine?
The InChIKey is ZIDQHHIURCUZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-14-9-10-17(18(13-14)26-2)21-19-15-7-3-4-8-16(15)22-20(23-19)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine?
N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine has a molecular weight of 350.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 1281119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).