2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline

C28H30N4O2 — CID 37254305

IUPAC2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline
SMILESCOc1ccc(CN2CCN(Cc3nc(-c4ccccc4)c4ccccc4n3)CC2)cc1OC
InChIInChI=1S/C28H30N4O2/c1-33-25-13-12-21(18-26(25)34-2)19-31-14-16-32(17-15-31)20-27-29-24-11-7-6-10-23(24)28(30-27)22-8-4-3-5-9-22/h3-13,18H,14-17,19-20H2,1-2H3
InChIKeySUBIGLNOHMBZKJ-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.63
Rot. Bonds7

About 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline

2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline (PubChem CID 37254305) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline
PubChem CID37254305
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline
SMILESCOc1ccc(CN2CCN(Cc3nc(-c4ccccc4)c4ccccc4n3)CC2)cc1OC
InChIInChI=1S/C28H30N4O2/c1-33-25-13-12-21(18-26(25)34-2)19-31-14-16-32(17-15-31)20-27-29-24-11-7-6-10-23(24)28(30-27)22-8-4-3-5-9-22/h3-13,18H,14-17,19-20H2,1-2H3
InChIKeySUBIGLNOHMBZKJ-UHFFFAOYSA-N
XLogP4.63
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline 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 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline?
The IUPAC name of 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline (CID 37254305) is 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline.
What is the SMILES notation for 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline?
The canonical SMILES for 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline is COc1ccc(CN2CCN(Cc3nc(-c4ccccc4)c4ccccc4n3)CC2)cc1OC.
What is the InChIKey of 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline?
The InChIKey is SUBIGLNOHMBZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-33-25-13-12-21(18-26(25)34-2)19-31-14-16-32(17-15-31)20-27-29-24-11-7-6-10-23(24)28(30-27)22-8-4-3-5-9-22/h3-13,18H,14-17,19-20H2,1-2H3.
What are the key properties of 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline?
2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline has a molecular weight of 454.57 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline is sourced from PubChem (CID 37254305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).