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

C19H11BrClFN4 — CID 67298005

IUPAC6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)nc3ccc(Br)cc23)cc1Cl
InChIInChI=1S/C19H11BrClFN4/c20-12-3-6-17-14(8-12)19(24-13-4-5-16(22)15(21)9-13)26-18(25-17)11-2-1-7-23-10-11/h1-10H,(H,24,25,26)
InChIKeySXKFFRRACVYNBR-UHFFFAOYSA-N
MW429.68 g/mol
LogP5.99
Rot. Bonds3

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

6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 67298005) has the molecular formula C19H11BrClFN4 and a molecular weight of 429.68 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID67298005
Molecular FormulaC19H11BrClFN4
Molecular Weight429.68 g/mol
Exact Mass427.98
IUPAC Name6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)nc3ccc(Br)cc23)cc1Cl
InChIInChI=1S/C19H11BrClFN4/c20-12-3-6-17-14(8-12)19(24-13-4-5-16(22)15(21)9-13)26-18(25-17)11-2-1-7-23-10-11/h1-10H,(H,24,25,26)
InChIKeySXKFFRRACVYNBR-UHFFFAOYSA-N
XLogP5.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.68
LogP ≤ 55.99
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)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 67298005) is 6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine is Fc1ccc(Nc2nc(-c3cccnc3)nc3ccc(Br)cc23)cc1Cl.
What is the InChIKey of 6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is SXKFFRRACVYNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrClFN4/c20-12-3-6-17-14(8-12)19(24-13-4-5-16(22)15(21)9-13)26-18(25-17)11-2-1-7-23-10-11/h1-10H,(H,24,25,26).
What are the key properties of 6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine?
6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 429.68 g/mol, XLogP of 5.99, 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)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 67298005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).