7-chloro-6-phenyl-4-piperazin-1-ylquinazoline

C18H17ClN4 — CID 118018983

IUPAC7-chloro-6-phenyl-4-piperazin-1-ylquinazoline
SMILESClc1cc2ncnc(N3CCNCC3)c2cc1-c1ccccc1
InChIInChI=1S/C18H17ClN4/c19-16-11-17-15(10-14(16)13-4-2-1-3-5-13)18(22-12-21-17)23-8-6-20-7-9-23/h1-5,10-12,20H,6-9H2
InChIKeySPGSRDVQJZBOAH-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.36
Rot. Bonds2

About 7-chloro-6-phenyl-4-piperazin-1-ylquinazoline

7-chloro-6-phenyl-4-piperazin-1-ylquinazoline (PubChem CID 118018983) has the molecular formula C18H17ClN4 and a molecular weight of 324.81 g/mol. Its IUPAC name is 7-chloro-6-phenyl-4-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name7-chloro-6-phenyl-4-piperazin-1-ylquinazoline
PubChem CID118018983
Molecular FormulaC18H17ClN4
Molecular Weight324.81 g/mol
Exact Mass324.11
IUPAC Name7-chloro-6-phenyl-4-piperazin-1-ylquinazoline
SMILESClc1cc2ncnc(N3CCNCC3)c2cc1-c1ccccc1
InChIInChI=1S/C18H17ClN4/c19-16-11-17-15(10-14(16)13-4-2-1-3-5-13)18(22-12-21-17)23-8-6-20-7-9-23/h1-5,10-12,20H,6-9H2
InChIKeySPGSRDVQJZBOAH-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-phenyl-4-piperazin-1-ylquinazoline?
The IUPAC name of 7-chloro-6-phenyl-4-piperazin-1-ylquinazoline (CID 118018983) is 7-chloro-6-phenyl-4-piperazin-1-ylquinazoline.
What is the SMILES notation for 7-chloro-6-phenyl-4-piperazin-1-ylquinazoline?
The canonical SMILES for 7-chloro-6-phenyl-4-piperazin-1-ylquinazoline is Clc1cc2ncnc(N3CCNCC3)c2cc1-c1ccccc1.
What is the InChIKey of 7-chloro-6-phenyl-4-piperazin-1-ylquinazoline?
The InChIKey is SPGSRDVQJZBOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c19-16-11-17-15(10-14(16)13-4-2-1-3-5-13)18(22-12-21-17)23-8-6-20-7-9-23/h1-5,10-12,20H,6-9H2.
What are the key properties of 7-chloro-6-phenyl-4-piperazin-1-ylquinazoline?
7-chloro-6-phenyl-4-piperazin-1-ylquinazoline has a molecular weight of 324.81 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-phenyl-4-piperazin-1-ylquinazoline is sourced from PubChem (CID 118018983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).