4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine

C19H14BrN5 — CID 87657042

IUPAC4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine
SMILESNc1nc(N(Br)c2ccccc2)c2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C19H14BrN5/c20-25(15-4-2-1-3-5-15)18-16-12-14(13-8-10-22-11-9-13)6-7-17(16)23-19(21)24-18/h1-12H,(H2,21,23,24)
InChIKeyZQQUCBFTKNRWAA-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.72
Rot. Bonds3

About 4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine

4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine (PubChem CID 87657042) has the molecular formula C19H14BrN5 and a molecular weight of 392.26 g/mol. Its IUPAC name is 4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine
PubChem CID87657042
Molecular FormulaC19H14BrN5
Molecular Weight392.26 g/mol
Exact Mass391.04
IUPAC Name4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine
SMILESNc1nc(N(Br)c2ccccc2)c2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C19H14BrN5/c20-25(15-4-2-1-3-5-15)18-16-12-14(13-8-10-22-11-9-13)6-7-17(16)23-19(21)24-18/h1-12H,(H2,21,23,24)
InChIKeyZQQUCBFTKNRWAA-UHFFFAOYSA-N
XLogP4.72
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-N-bromo-6-[4-(methylamino)phenyl]-4-N-phenylquinazoline-2,4-diamine
CID 87658499
4-N-bromo-6-(3,4-dimethoxyphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 87656575
4-N-bromo-6-(5-methylfuran-2-yl)-4-N-phenylquinazoline-2,4-diamine
CID 87658145
4-[4-[2-amino-4-(N-bromoanilino)quinazolin-6-yl]anilino]-4-oxobutanoic acid
CID 87656500
4-N-bromo-6-(5-methylsulfanylthiophen-2-yl)-4-N-phenylquinazoline-2,4-diamine
CID 87656581
[3-[2-amino-4-(N-bromoanilino)quinazolin-6-yl]-4-chlorophenyl]methanol
CID 87657025
tert-butyl 4-[2-amino-4-(N-bromoanilino)quinazolin-6-yl]pyrazole-1-carboxylate
CID 87656583
4-hydrazinyl-6-pyridin-4-ylquinazolin-2-amine
CID 69013624
(2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 25161019
4-hydrazinyl-6-(4-phenylphenyl)quinazolin-2-amine
CID 69016599
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
6-(4-fluorophenyl)quinazoline-2,4-diamine
CID 24810151

Frequently Asked Questions

What is the IUPAC name of 4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine?
The IUPAC name of 4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine (CID 87657042) is 4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine is Nc1nc(N(Br)c2ccccc2)c2cc(-c3ccncc3)ccc2n1.
What is the InChIKey of 4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine?
The InChIKey is ZQQUCBFTKNRWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5/c20-25(15-4-2-1-3-5-15)18-16-12-14(13-8-10-22-11-9-13)6-7-17(16)23-19(21)24-18/h1-12H,(H2,21,23,24).
What are the key properties of 4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine?
4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine has a molecular weight of 392.26 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-bromo-4-N-phenyl-6-pyridin-4-ylquinazoline-2,4-diamine is sourced from PubChem (CID 87657042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).