4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline

C21H24N4 — CID 112843750

IUPAC4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline
SMILESCc1ccc2ncnc(N3CCN(c4cccc(C)c4C)CC3)c2c1
InChIInChI=1S/C21H24N4/c1-15-7-8-19-18(13-15)21(23-14-22-19)25-11-9-24(10-12-25)20-6-4-5-16(2)17(20)3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyLYBQXYSXMILTBT-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.88
Rot. Bonds2

About 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline (PubChem CID 112843750) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline
PubChem CID112843750
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline
SMILESCc1ccc2ncnc(N3CCN(c4cccc(C)c4C)CC3)c2c1
InChIInChI=1S/C21H24N4/c1-15-7-8-19-18(13-15)21(23-14-22-19)25-11-9-24(10-12-25)20-6-4-5-16(2)17(20)3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyLYBQXYSXMILTBT-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[methylamino-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]methylidene]vanadium
CID 59928286
trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol
CID 56853258
4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline
CID 136520741
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140378
6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline
CID 21002638
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539422
4-(4-cyclohexyloxypiperidin-1-yl)-6-methylquinazoline
CID 133278333
4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22540364
4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-methylquinazoline
CID 112843812
6-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]quinazoline
CID 87020699
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23483860
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 22534661

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline (CID 112843750) is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline is Cc1ccc2ncnc(N3CCN(c4cccc(C)c4C)CC3)c2c1.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline?
The InChIKey is LYBQXYSXMILTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15-7-8-19-18(13-15)21(23-14-22-19)25-11-9-24(10-12-25)20-6-4-5-16(2)17(20)3/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline?
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline has a molecular weight of 332.45 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline is sourced from PubChem (CID 112843750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).