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

C20H20BrN3 — CID 23933786

IUPAC6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline
SMILESCC1CCN(c2nc(-c3ccccc3)nc3ccc(Br)cc23)CC1
InChIInChI=1S/C20H20BrN3/c1-14-9-11-24(12-10-14)20-17-13-16(21)7-8-18(17)22-19(23-20)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3
InChIKeyYEZZDLCADPNRJJ-UHFFFAOYSA-N
MW382.31 g/mol
LogP5.30
Rot. Bonds2

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

6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline (PubChem CID 23933786) has the molecular formula C20H20BrN3 and a molecular weight of 382.31 g/mol. Its IUPAC name is 6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline.

Molecular Properties

Compound Name6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline
PubChem CID23933786
Molecular FormulaC20H20BrN3
Molecular Weight382.31 g/mol
Exact Mass381.08
IUPAC Name6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline
SMILESCC1CCN(c2nc(-c3ccccc3)nc3ccc(Br)cc23)CC1
InChIInChI=1S/C20H20BrN3/c1-14-9-11-24(12-10-14)20-17-13-16(21)7-8-18(17)22-19(23-20)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3
InChIKeyYEZZDLCADPNRJJ-UHFFFAOYSA-N
XLogP5.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.31
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline?
The IUPAC name of 6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline (CID 23933786) is 6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline.
What is the SMILES notation for 6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline?
The canonical SMILES for 6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline is CC1CCN(c2nc(-c3ccccc3)nc3ccc(Br)cc23)CC1.
What is the InChIKey of 6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline?
The InChIKey is YEZZDLCADPNRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3/c1-14-9-11-24(12-10-14)20-17-13-16(21)7-8-18(17)22-19(23-20)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline?
6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline has a molecular weight of 382.31 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(4-methylpiperidin-1-yl)-2-phenylquinazoline is sourced from PubChem (CID 23933786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).