2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline

C26H26N4 — CID 47069164

IUPAC2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline
SMILESCc1ccc(C)c(N2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)c1
InChIInChI=1S/C26H26N4/c1-19-12-13-20(2)24(18-19)29-14-16-30(17-15-29)26-27-23-11-7-6-10-22(23)25(28-26)21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3
InChIKeyYLRYGMWZTVXVIY-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.24
Rot. Bonds3

About 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline

2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline (PubChem CID 47069164) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline
PubChem CID47069164
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline
SMILESCc1ccc(C)c(N2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)c1
InChIInChI=1S/C26H26N4/c1-19-12-13-20(2)24(18-19)29-14-16-30(17-15-29)26-27-23-11-7-6-10-22(23)25(28-26)21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3
InChIKeyYLRYGMWZTVXVIY-UHFFFAOYSA-N
XLogP5.24
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline
CID 11267128
2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline
CID 2862104
4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline
CID 11151417
2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 26033714
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511296
(1S,6R)-6-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 1069557
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine
CID 42897711
6-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate
CID 4751818
4-[3-amino-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one
CID 25271210
[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 27816575
6-methyl-2-(2-methylpiperidin-1-yl)-4-phenylquinazoline
CID 16616241

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline (CID 47069164) is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline is Cc1ccc(C)c(N2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline?
The InChIKey is YLRYGMWZTVXVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c1-19-12-13-20(2)24(18-19)29-14-16-30(17-15-29)26-27-23-11-7-6-10-22(23)25(28-26)21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3.
What are the key properties of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline?
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline has a molecular weight of 394.52 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline is sourced from PubChem (CID 47069164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).