2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline

C14H7BrClFN2 — CID 53249844

IUPAC2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline
SMILESFc1ccc2c(Cl)nc(-c3ccc(Br)cc3)nc2c1
InChIInChI=1S/C14H7BrClFN2/c15-9-3-1-8(2-4-9)14-18-12-7-10(17)5-6-11(12)13(16)19-14/h1-7H
InChIKeyRBBUGKUKHHPJHX-UHFFFAOYSA-N
MW337.58 g/mol
LogP4.85
Rot. Bonds1

About 2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline

2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline (PubChem CID 53249844) has the molecular formula C14H7BrClFN2 and a molecular weight of 337.58 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline
PubChem CID53249844
Molecular FormulaC14H7BrClFN2
Molecular Weight337.58 g/mol
Exact Mass335.95
IUPAC Name2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline
SMILESFc1ccc2c(Cl)nc(-c3ccc(Br)cc3)nc2c1
InChIInChI=1S/C14H7BrClFN2/c15-9-3-1-8(2-4-9)14-18-12-7-10(17)5-6-11(12)13(16)19-14/h1-7H
InChIKeyRBBUGKUKHHPJHX-UHFFFAOYSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.58
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline?
The IUPAC name of 2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline (CID 53249844) is 2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline.
What is the SMILES notation for 2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline?
The canonical SMILES for 2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline is Fc1ccc2c(Cl)nc(-c3ccc(Br)cc3)nc2c1.
What is the InChIKey of 2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline?
The InChIKey is RBBUGKUKHHPJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2/c15-9-3-1-8(2-4-9)14-18-12-7-10(17)5-6-11(12)13(16)19-14/h1-7H.
What are the key properties of 2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline?
2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline has a molecular weight of 337.58 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline is sourced from PubChem (CID 53249844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).