3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline

C24H32N4 — CID 66825516

IUPAC3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline
SMILESCCC1=Nc2ccccc2CN1CCN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H32N4/c1-4-24-25-22-10-6-5-9-21(22)18-28(24)17-14-26-12-15-27(16-13-26)23-11-7-8-19(2)20(23)3/h5-11H,4,12-18H2,1-3H3
InChIKeyVHJHGPLPWKXPAO-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.38
Rot. Bonds5

About 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline

3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline (PubChem CID 66825516) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline.

Molecular Properties

Compound Name3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline
PubChem CID66825516
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline
SMILESCCC1=Nc2ccccc2CN1CCN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H32N4/c1-4-24-25-22-10-6-5-9-21(22)18-28(24)17-14-26-12-15-27(16-13-26)23-11-7-8-19(2)20(23)3/h5-11H,4,12-18H2,1-3H3
InChIKeyVHJHGPLPWKXPAO-UHFFFAOYSA-N
XLogP4.38
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 11107993
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylbutan-1-amine
CID 81084496
1-[2-(benzenesulfonyl)ethyl]-4-(2,3-dimethylphenyl)piperazine
CID 51170901
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 109029653
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol
CID 61071831
1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
CID 163344961
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-methyl-3-propylguanidine
CID 111833679
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-propylguanidine
CID 111805956
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline
CID 67885692
1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 43245851

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline?
The IUPAC name of 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline (CID 66825516) is 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline.
What is the SMILES notation for 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline?
The canonical SMILES for 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline is CCC1=Nc2ccccc2CN1CCN1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline?
The InChIKey is VHJHGPLPWKXPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4/c1-4-24-25-22-10-6-5-9-21(22)18-28(24)17-14-26-12-15-27(16-13-26)23-11-7-8-19(2)20(23)3/h5-11H,4,12-18H2,1-3H3.
What are the key properties of 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline?
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline has a molecular weight of 376.55 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-ethyl-4H-quinazoline is sourced from PubChem (CID 66825516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).