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

C19H12BrN3 — CID 67688277

IUPAC2-[6-(2-bromophenyl)-2-pyridinyl]quinazoline
SMILESBrc1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1
InChIInChI=1S/C19H12BrN3/c20-15-8-3-2-7-14(15)17-10-5-11-18(22-17)19-21-12-13-6-1-4-9-16(13)23-19/h1-12H
InChIKeyWJYMFFISJNPVTP-UHFFFAOYSA-N
MW362.23 g/mol
LogP5.12
Rot. Bonds2

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

2-[6-(2-bromophenyl)-2-pyridinyl]quinazoline (PubChem CID 67688277) has the molecular formula C19H12BrN3 and a molecular weight of 362.23 g/mol. Its IUPAC name is 2-[6-(2-bromophenyl)-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(2-bromophenyl)-2-pyridinyl]quinazoline
PubChem CID67688277
Molecular FormulaC19H12BrN3
Molecular Weight362.23 g/mol
Exact Mass361.02
IUPAC Name2-[6-(2-bromophenyl)-2-pyridinyl]quinazoline
SMILESBrc1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1
InChIInChI=1S/C19H12BrN3/c20-15-8-3-2-7-14(15)17-10-5-11-18(22-17)19-21-12-13-6-1-4-9-16(13)23-19/h1-12H
InChIKeyWJYMFFISJNPVTP-UHFFFAOYSA-N
XLogP5.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.23
LogP ≤ 55.12
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)-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(2-bromophenyl)-2-pyridinyl]quinazoline (CID 67688277) is 2-[6-(2-bromophenyl)-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(2-bromophenyl)-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(2-bromophenyl)-2-pyridinyl]quinazoline is Brc1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1.
What is the InChIKey of 2-[6-(2-bromophenyl)-2-pyridinyl]quinazoline?
The InChIKey is WJYMFFISJNPVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3/c20-15-8-3-2-7-14(15)17-10-5-11-18(22-17)19-21-12-13-6-1-4-9-16(13)23-19/h1-12H.
What are the key properties of 2-[6-(2-bromophenyl)-2-pyridinyl]quinazoline?
2-[6-(2-bromophenyl)-2-pyridinyl]quinazoline has a molecular weight of 362.23 g/mol, XLogP of 5.12, 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)-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).