2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline

C20H13BrFN3 — CID 70828404

IUPAC2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline
SMILESFc1cc(Br)ccc1Cc1cccc(-c2ncc3ccccc3n2)n1
InChIInChI=1S/C20H13BrFN3/c21-15-9-8-13(17(22)11-15)10-16-5-3-7-19(24-16)20-23-12-14-4-1-2-6-18(14)25-20/h1-9,11-12H,10H2
InChIKeyRAGQUNAFZUZXGA-UHFFFAOYSA-N
MW394.25 g/mol
LogP5.18
Rot. Bonds3

About 2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline

2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline (PubChem CID 70828404) has the molecular formula C20H13BrFN3 and a molecular weight of 394.25 g/mol. Its IUPAC name is 2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline
PubChem CID70828404
Molecular FormulaC20H13BrFN3
Molecular Weight394.25 g/mol
Exact Mass393.03
IUPAC Name2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline
SMILESFc1cc(Br)ccc1Cc1cccc(-c2ncc3ccccc3n2)n1
InChIInChI=1S/C20H13BrFN3/c21-15-9-8-13(17(22)11-15)10-16-5-3-7-19(24-16)20-23-12-14-4-1-2-6-18(14)25-20/h1-9,11-12H,10H2
InChIKeyRAGQUNAFZUZXGA-UHFFFAOYSA-N
XLogP5.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.25
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline
CID 67689032
2-[6-[(2-ethynylphenyl)methyl]-2-pyridinyl]quinazoline
CID 89007792
2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]quinazoline
CID 67689010
N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine
CID 114788959
3-fluoro-4-(quinolin-2-ylmethyl)phenol
CID 83129838
1-(4-bromo-2-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962307
2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688216
2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole
CID 171846633
2-bromo-6-[(2-fluorophenyl)methyl]pyridine
CID 86652414
2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688331
4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine
CID 19780240
2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol
CID 57265837

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline (CID 70828404) is 2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline is Fc1cc(Br)ccc1Cc1cccc(-c2ncc3ccccc3n2)n1.
What is the InChIKey of 2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline?
The InChIKey is RAGQUNAFZUZXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrFN3/c21-15-9-8-13(17(22)11-15)10-16-5-3-7-19(24-16)20-23-12-14-4-1-2-6-18(14)25-20/h1-9,11-12H,10H2.
What are the key properties of 2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline?
2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline has a molecular weight of 394.25 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-bromo-2-fluorophenyl)methyl]-2-pyridinyl]quinazoline is sourced from PubChem (CID 70828404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).