4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline

C19H10BrF2N3 — CID 89315428

IUPAC4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline
SMILESFc1ccc(-c2ccc3nc(-c4cccnc4)nc(Br)c3c2)c(F)c1
InChIInChI=1S/C19H10BrF2N3/c20-18-15-8-11(14-5-4-13(21)9-16(14)22)3-6-17(15)24-19(25-18)12-2-1-7-23-10-12/h1-10H
InChIKeyREXSZYUEECDQGM-UHFFFAOYSA-N
MW398.21 g/mol
LogP5.40
Rot. Bonds2

About 4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline

4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline (PubChem CID 89315428) has the molecular formula C19H10BrF2N3 and a molecular weight of 398.21 g/mol. Its IUPAC name is 4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline
PubChem CID89315428
Molecular FormulaC19H10BrF2N3
Molecular Weight398.21 g/mol
Exact Mass397.00
IUPAC Name4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline
SMILESFc1ccc(-c2ccc3nc(-c4cccnc4)nc(Br)c3c2)c(F)c1
InChIInChI=1S/C19H10BrF2N3/c20-18-15-8-11(14-5-4-13(21)9-16(14)22)3-6-17(15)24-19(25-18)12-2-1-7-23-10-12/h1-10H
InChIKeyREXSZYUEECDQGM-UHFFFAOYSA-N
XLogP5.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.21
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline (CID 89315428) is 4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline is Fc1ccc(-c2ccc3nc(-c4cccnc4)nc(Br)c3c2)c(F)c1.
What is the InChIKey of 4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline?
The InChIKey is REXSZYUEECDQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrF2N3/c20-18-15-8-11(14-5-4-13(21)9-16(14)22)3-6-17(15)24-19(25-18)12-2-1-7-23-10-12/h1-10H.
What are the key properties of 4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline?
4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline has a molecular weight of 398.21 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2,4-difluorophenyl)-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 89315428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).