2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline

C20H14BrN3 — CID 67688595

IUPAC2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1Br
InChIInChI=1S/C20H14BrN3/c1-13-10-11-18(23-19(13)15-7-3-4-8-16(15)21)20-22-12-14-6-2-5-9-17(14)24-20/h2-12H,1H3
InChIKeyLVYCGFRPWVQMEV-UHFFFAOYSA-N
MW376.26 g/mol
LogP5.43
Rot. Bonds2

About 2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline

2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline (PubChem CID 67688595) has the molecular formula C20H14BrN3 and a molecular weight of 376.26 g/mol. Its IUPAC name is 2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline
PubChem CID67688595
Molecular FormulaC20H14BrN3
Molecular Weight376.26 g/mol
Exact Mass375.04
IUPAC Name2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1Br
InChIInChI=1S/C20H14BrN3/c1-13-10-11-18(23-19(13)15-7-3-4-8-16(15)21)20-22-12-14-6-2-5-9-17(14)24-20/h2-12H,1H3
InChIKeyLVYCGFRPWVQMEV-UHFFFAOYSA-N
XLogP5.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline (CID 67688595) is 2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline is Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1Br.
What is the InChIKey of 2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline?
The InChIKey is LVYCGFRPWVQMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3/c1-13-10-11-18(23-19(13)15-7-3-4-8-16(15)21)20-22-12-14-6-2-5-9-17(14)24-20/h2-12H,1H3.
What are the key properties of 2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline?
2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline has a molecular weight of 376.26 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-bromophenyl)-5-methyl-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).