N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine

C19H13BrN4 — CID 1067740

IUPACN-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESBrc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C19H13BrN4/c20-14-5-7-15(8-6-14)22-19-16-3-1-2-4-17(16)23-18(24-19)13-9-11-21-12-10-13/h1-12H,(H,22,23,24)
InChIKeyCYDCXRNSUAEPEB-UHFFFAOYSA-N
MW377.25 g/mol
LogP5.20
Rot. Bonds3

About N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine

N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 1067740) has the molecular formula C19H13BrN4 and a molecular weight of 377.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID1067740
Molecular FormulaC19H13BrN4
Molecular Weight377.25 g/mol
Exact Mass376.03
IUPAC NameN-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESBrc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C19H13BrN4/c20-14-5-7-15(8-6-14)22-19-16-3-1-2-4-17(16)23-18(24-19)13-9-11-21-12-10-13/h1-12H,(H,22,23,24)
InChIKeyCYDCXRNSUAEPEB-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 N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine (CID 1067740) is N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine is Brc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is CYDCXRNSUAEPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4/c20-14-5-7-15(8-6-14)22-19-16-3-1-2-4-17(16)23-18(24-19)13-9-11-21-12-10-13/h1-12H,(H,22,23,24).
What are the key properties of N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-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 N-(4-bromophenyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 1067740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).