2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline

C20H22N4 — CID 9403564

IUPAC2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline
SMILESCCN1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C20H22N4/c1-2-23-12-14-24(15-13-23)20-21-18-11-7-6-10-17(18)19(22-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyDMTDVNHHYWDIHE-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.44
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline

2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline (PubChem CID 9403564) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline
PubChem CID9403564
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline
SMILESCCN1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C20H22N4/c1-2-23-12-14-24(15-13-23)20-21-18-11-7-6-10-17(18)19(22-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyDMTDVNHHYWDIHE-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Quipazine
CID 5011
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
Revaprazan
CID 204104
N-Methylquipazine
CID 5013
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline (CID 9403564) is 2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline is CCN1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline?
The InChIKey is DMTDVNHHYWDIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-2-23-12-14-24(15-13-23)20-21-18-11-7-6-10-17(18)19(22-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline?
2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline has a molecular weight of 318.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-phenylquinazoline is sourced from PubChem (CID 9403564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).