6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline

C19H19BrN4O — CID 87020711

IUPAC6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline
SMILESCOc1ccc(N2CCN(c3ncnc4ccc(Br)cc34)CC2)cc1
InChIInChI=1S/C19H19BrN4O/c1-25-16-5-3-15(4-6-16)23-8-10-24(11-9-23)19-17-12-14(20)2-7-18(17)21-13-22-19/h2-7,12-13H,8-11H2,1H3
InChIKeyXZZPJXSTDJTAQJ-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.73
Rot. Bonds3

About 6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline

6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline (PubChem CID 87020711) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline
PubChem CID87020711
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline
SMILESCOc1ccc(N2CCN(c3ncnc4ccc(Br)cc34)CC2)cc1
InChIInChI=1S/C19H19BrN4O/c1-25-16-5-3-15(4-6-16)23-8-10-24(11-9-23)19-17-12-14(20)2-7-18(17)21-13-22-19/h2-7,12-13H,8-11H2,1H3
InChIKeyXZZPJXSTDJTAQJ-UHFFFAOYSA-N
XLogP3.73
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
6-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]quinazoline
CID 87020699
6-bromo-4-[4-(3-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline
CID 22031431
6-bromo-4-[4-(2,4-difluorophenyl)piperazin-1-yl]quinazoline
CID 170641448
6-bromo-4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]quinazoline
CID 22031870
6-bromo-4-(4-but-3-ynylpiperazin-1-yl)quinazoline
CID 86946151
methyl 2-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133398939
6-bromo-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)quinazoline
CID 175652074
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
2-[4-(6-bromoquinazolin-4-yl)piperazin-1-ium-1-yl]ethanol
CID 4225385
7-methoxy-3-(6-methylsulfanylquinazolin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 167803937

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline?
The IUPAC name of 6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline (CID 87020711) is 6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline is COc1ccc(N2CCN(c3ncnc4ccc(Br)cc34)CC2)cc1.
What is the InChIKey of 6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline?
The InChIKey is XZZPJXSTDJTAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-25-16-5-3-15(4-6-16)23-8-10-24(11-9-23)19-17-12-14(20)2-7-18(17)21-13-22-19/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline?
6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline has a molecular weight of 399.29 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 87020711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).