6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine

C22H16BrN3 — CID 53482314

IUPAC6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine
SMILESBrc1ccc2ncnc(Nc3ccc(/C=C/c4ccccc4)cc3)c2c1
InChIInChI=1S/C22H16BrN3/c23-18-10-13-21-20(14-18)22(25-15-24-21)26-19-11-8-17(9-12-19)7-6-16-4-2-1-3-5-16/h1-15H,(H,24,25,26)/b7-6+
InChIKeyIZBUORYGJIEQJQ-VOTSOKGWSA-N
MW402.30 g/mol
LogP6.31
Rot. Bonds4

About 6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine

6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine (PubChem CID 53482314) has the molecular formula C22H16BrN3 and a molecular weight of 402.30 g/mol. Its IUPAC name is 6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine
PubChem CID53482314
Molecular FormulaC22H16BrN3
Molecular Weight402.30 g/mol
Exact Mass401.05
IUPAC Name6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine
SMILESBrc1ccc2ncnc(Nc3ccc(/C=C/c4ccccc4)cc3)c2c1
InChIInChI=1S/C22H16BrN3/c23-18-10-13-21-20(14-18)22(25-15-24-21)26-19-11-8-17(9-12-19)7-6-16-4-2-1-3-5-16/h1-15H,(H,24,25,26)/b7-6+
InChIKeyIZBUORYGJIEQJQ-VOTSOKGWSA-N
XLogP6.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.30
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
1-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 702723
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
N,6-diphenylquinazolin-4-amine
CID 86766666
3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 69485575
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
4-anilinoquinazolin-6-ol;ethane
CID 91520479
6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride
CID 67699153
N-[4-(4-bromoanilino)quinazolin-6-yl]prop-2-enamide
CID 15159375
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine
CID 152645355
6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54010523

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine (CID 53482314) is 6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine is Brc1ccc2ncnc(Nc3ccc(/C=C/c4ccccc4)cc3)c2c1.
What is the InChIKey of 6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine?
The InChIKey is IZBUORYGJIEQJQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H16BrN3/c23-18-10-13-21-20(14-18)22(25-15-24-21)26-19-11-8-17(9-12-19)7-6-16-4-2-1-3-5-16/h1-15H,(H,24,25,26)/b7-6+.
What are the key properties of 6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine?
6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine has a molecular weight of 402.30 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 53482314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).