4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline

C21H22N4 — CID 92914556

IUPAC4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline
SMILESCN1CCN(c2nc(/C=C\c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C21H22N4/c1-24-13-15-25(16-14-24)21-18-9-5-6-10-19(18)22-20(23-21)12-11-17-7-3-2-4-8-17/h2-12H,13-16H2,1H3/b12-11-
InChIKeySWDQDPUMJVETEK-QXMHVHEDSA-N
MW330.44 g/mol
LogP3.55
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline

4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline (PubChem CID 92914556) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline
PubChem CID92914556
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline
SMILESCN1CCN(c2nc(/C=C\c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C21H22N4/c1-24-13-15-25(16-14-24)21-18-9-5-6-10-19(18)22-20(23-21)12-11-17-7-3-2-4-8-17/h2-12H,13-16H2,1H3/b12-11-
InChIKeySWDQDPUMJVETEK-QXMHVHEDSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]ethenyl]-4-(4-methylpiperazin-1-yl)quinazoline
CID 67306694
4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
CID 769532
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(4-methylpiperazin-1-yl)quinoxaline
CID 134125191
N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 769569
2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine
CID 121453138
N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine
CID 90754084
N-ethyl-2-(2-phenylethenyl)quinazolin-4-amine
CID 58017075
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 67719898
2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline
CID 71662745
4-chloro-2-(4-methylpiperazin-1-yl)quinazoline
CID 14614944
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
3-methyl-N-[6-(4-methylpiperazin-1-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]-1,4-dihydropyrazol-5-imine
CID 137146950

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline (CID 92914556) is 4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline is CN1CCN(c2nc(/C=C\c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline?
The InChIKey is SWDQDPUMJVETEK-QXMHVHEDSA-N. The full InChI is InChI=1S/C21H22N4/c1-24-13-15-25(16-14-24)21-18-9-5-6-10-19(18)22-20(23-21)12-11-17-7-3-2-4-8-17/h2-12H,13-16H2,1H3/b12-11-.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline?
4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline has a molecular weight of 330.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline is sourced from PubChem (CID 92914556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).