3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline

C14H9BrF2N2 — CID 175719996

IUPAC3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline
SMILESFc1ccc(Br)c(F)c1N1C=Nc2ccccc2C1
InChIInChI=1S/C14H9BrF2N2/c15-10-5-6-11(16)14(13(10)17)19-7-9-3-1-2-4-12(9)18-8-19/h1-6,8H,7H2
InChIKeyAPSGZJLYNDVIGC-UHFFFAOYSA-N
MW323.14 g/mol
LogP4.41
Rot. Bonds1

About 3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline

3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline (PubChem CID 175719996) has the molecular formula C14H9BrF2N2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline.

Molecular Properties

Compound Name3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline
PubChem CID175719996
Molecular FormulaC14H9BrF2N2
Molecular Weight323.14 g/mol
Exact Mass321.99
IUPAC Name3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline
SMILESFc1ccc(Br)c(F)c1N1C=Nc2ccccc2C1
InChIInChI=1S/C14H9BrF2N2/c15-10-5-6-11(16)14(13(10)17)19-7-9-3-1-2-4-12(9)18-8-19/h1-6,8H,7H2
InChIKeyAPSGZJLYNDVIGC-UHFFFAOYSA-N
XLogP4.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline?
The IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline (CID 175719996) is 3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline.
What is the SMILES notation for 3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline?
The canonical SMILES for 3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline is Fc1ccc(Br)c(F)c1N1C=Nc2ccccc2C1.
What is the InChIKey of 3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline?
The InChIKey is APSGZJLYNDVIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2/c15-10-5-6-11(16)14(13(10)17)19-7-9-3-1-2-4-12(9)18-8-19/h1-6,8H,7H2.
What are the key properties of 3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline?
3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline has a molecular weight of 323.14 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,6-difluorophenyl)-4H-quinazoline is sourced from PubChem (CID 175719996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).