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

C20H23N5O2 — CID 1290462

IUPACN-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C20H23N5O2/c1-26-14-7-8-17(18(13-14)27-2)22-19-15-5-3-4-6-16(15)23-20(24-19)25-11-9-21-10-12-25/h3-8,13,21H,9-12H2,1-2H3,(H,22,23,24)
InChIKeyRUEPBSBZSRTGFK-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.80
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine (PubChem CID 1290462) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine
PubChem CID1290462
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C20H23N5O2/c1-26-14-7-8-17(18(13-14)27-2)22-19-15-5-3-4-6-16(15)23-20(24-19)25-11-9-21-10-12-25/h3-8,13,21H,9-12H2,1-2H3,(H,22,23,24)
InChIKeyRUEPBSBZSRTGFK-UHFFFAOYSA-N
XLogP2.80
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,4-dimethoxyphenyl)-2-piperazin-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-piperazin-1-ylquinazolin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine (CID 1290462) is N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine is COc1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine?
The InChIKey is RUEPBSBZSRTGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-26-14-7-8-17(18(13-14)27-2)22-19-15-5-3-4-6-16(15)23-20(24-19)25-11-9-21-10-12-25/h3-8,13,21H,9-12H2,1-2H3,(H,22,23,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine?
N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine has a molecular weight of 365.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine is sourced from PubChem (CID 1290462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).