6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine

C20H13BrClFN4 — CID 71180069

IUPAC6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1cc(Br)cc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc12
InChIInChI=1S/C20H13BrClFN4/c1-11-7-13(21)8-15-18(11)26-19(12-3-2-6-24-10-12)27-20(15)25-14-4-5-17(23)16(22)9-14/h2-10H,1H3,(H,25,26,27)
InChIKeyQQXLSJYCEWMNID-UHFFFAOYSA-N
MW443.71 g/mol
LogP6.30
Rot. Bonds3

About 6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine

6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180069) has the molecular formula C20H13BrClFN4 and a molecular weight of 443.71 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180069
Molecular FormulaC20H13BrClFN4
Molecular Weight443.71 g/mol
Exact Mass442.00
IUPAC Name6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1cc(Br)cc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc12
InChIInChI=1S/C20H13BrClFN4/c1-11-7-13(21)8-15-18(11)26-19(12-3-2-6-24-10-12)27-20(15)25-14-4-5-17(23)16(22)9-14/h2-10H,1H3,(H,25,26,27)
InChIKeyQQXLSJYCEWMNID-UHFFFAOYSA-N
XLogP6.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.71
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71180069) is 6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine is Cc1cc(Br)cc2c(Nc3ccc(F)c(Cl)c3)nc(-c3cccnc3)nc12.
What is the InChIKey of 6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is QQXLSJYCEWMNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrClFN4/c1-11-7-13(21)8-15-18(11)26-19(12-3-2-6-24-10-12)27-20(15)25-14-4-5-17(23)16(22)9-14/h2-10H,1H3,(H,25,26,27).
What are the key properties of 6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 443.71 g/mol, XLogP of 6.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-chloro-4-fluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).