6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine

C19H13BrN4 — CID 4714159

IUPAC6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine
SMILESBrc1ccc2nc(Nc3ccncc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C19H13BrN4/c20-14-6-7-17-16(12-14)18(13-4-2-1-3-5-13)24-19(23-17)22-15-8-10-21-11-9-15/h1-12H,(H,21,22,23,24)
InChIKeyUUPQTAWXOMHIPB-UHFFFAOYSA-N
MW377.25 g/mol
LogP5.20
Rot. Bonds3

About 6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine

6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine (PubChem CID 4714159) has the molecular formula C19H13BrN4 and a molecular weight of 377.25 g/mol. Its IUPAC name is 6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine
PubChem CID4714159
Molecular FormulaC19H13BrN4
Molecular Weight377.25 g/mol
Exact Mass376.03
IUPAC Name6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine
SMILESBrc1ccc2nc(Nc3ccncc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C19H13BrN4/c20-14-6-7-17-16(12-14)18(13-4-2-1-3-5-13)24-19(23-17)22-15-8-10-21-11-9-15/h1-12H,(H,21,22,23,24)
InChIKeyUUPQTAWXOMHIPB-UHFFFAOYSA-N
XLogP5.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.25
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine?
The IUPAC name of 6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine (CID 4714159) is 6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine.
What is the SMILES notation for 6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine?
The canonical SMILES for 6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine is Brc1ccc2nc(Nc3ccncc3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine?
The InChIKey is UUPQTAWXOMHIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4/c20-14-6-7-17-16(12-14)18(13-4-2-1-3-5-13)24-19(23-17)22-15-8-10-21-11-9-15/h1-12H,(H,21,22,23,24).
What are the key properties of 6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine?
6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine has a molecular weight of 377.25 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-phenyl-N-pyridin-4-ylquinazolin-2-amine is sourced from PubChem (CID 4714159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).