[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C20H19ClN4O2 — CID 39998397

IUPAC[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ncnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-27-16-5-2-14(3-6-16)20(26)25-10-8-24(9-11-25)19-17-7-4-15(21)12-18(17)22-13-23-19/h2-7,12-13H,8-11H2,1H3
InChIKeyVCGMGYOIRQTADK-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.25
Rot. Bonds3

About [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 39998397) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID39998397
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ncnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-27-16-5-2-14(3-6-16)20(26)25-10-8-24(9-11-25)19-17-7-4-15(21)12-18(17)22-13-23-19/h2-7,12-13H,8-11H2,1H3
InChIKeyVCGMGYOIRQTADK-UHFFFAOYSA-N
XLogP3.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone 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 [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 39998397) is [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(c3ncnc4cc(Cl)ccc34)CC2)cc1.
What is the InChIKey of [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is VCGMGYOIRQTADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-27-16-5-2-14(3-6-16)20(26)25-10-8-24(9-11-25)19-17-7-4-15(21)12-18(17)22-13-23-19/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 382.85 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 39998397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).