6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline

C19H19BrN4 — CID 23742064

IUPAC6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline
SMILESCN1CCN(c2nc(-c3ccccc3)nc3ccc(Br)cc23)CC1
InChIInChI=1S/C19H19BrN4/c1-23-9-11-24(12-10-23)19-16-13-15(20)7-8-17(16)21-18(22-19)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeyLUHIAQSGPSRAMS-UHFFFAOYSA-N
MW383.29 g/mol
LogP3.81
Rot. Bonds2

About 6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline

6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline (PubChem CID 23742064) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline.

Molecular Properties

Compound Name6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline
PubChem CID23742064
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline
SMILESCN1CCN(c2nc(-c3ccccc3)nc3ccc(Br)cc23)CC1
InChIInChI=1S/C19H19BrN4/c1-23-9-11-24(12-10-23)19-16-13-15(20)7-8-17(16)21-18(22-19)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeyLUHIAQSGPSRAMS-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline?
The IUPAC name of 6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline (CID 23742064) is 6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline.
What is the SMILES notation for 6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline?
The canonical SMILES for 6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline is CN1CCN(c2nc(-c3ccccc3)nc3ccc(Br)cc23)CC1.
What is the InChIKey of 6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline?
The InChIKey is LUHIAQSGPSRAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-23-9-11-24(12-10-23)19-16-13-15(20)7-8-17(16)21-18(22-19)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3.
What are the key properties of 6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline?
6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline has a molecular weight of 383.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline is sourced from PubChem (CID 23742064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).