6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride

C20H15BrClN3O — CID 141258624

IUPAC6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride
SMILESBrc1ccc2nc(Nc3ccc(/C=C/c4ccco4)cc3)ncc2c1.Cl
InChIInChI=1S/C20H14BrN3O.ClH/c21-16-6-10-19-15(12-16)13-22-20(24-19)23-17-7-3-14(4-8-17)5-9-18-2-1-11-25-18;/h1-13H,(H,22,23,24);1H/b9-5+;
InChIKeyFEZONPHMRJUEEE-SZKNIZGXSA-N
MW428.72 g/mol
LogP6.32
Rot. Bonds4

About 6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride

6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride (PubChem CID 141258624) has the molecular formula C20H15BrClN3O and a molecular weight of 428.72 g/mol. Its IUPAC name is 6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride
PubChem CID141258624
Molecular FormulaC20H15BrClN3O
Molecular Weight428.72 g/mol
Exact Mass427.01
IUPAC Name6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride
SMILESBrc1ccc2nc(Nc3ccc(/C=C/c4ccco4)cc3)ncc2c1.Cl
InChIInChI=1S/C20H14BrN3O.ClH/c21-16-6-10-19-15(12-16)13-22-20(24-19)23-17-7-3-14(4-8-17)5-9-18-2-1-11-25-18;/h1-13H,(H,22,23,24);1H/b9-5+;
InChIKeyFEZONPHMRJUEEE-SZKNIZGXSA-N
XLogP6.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.72
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoanilino)quinazolin-6-ol
CID 59254881
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CID 142637448
6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536
N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine
CID 58829313
4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 24986332
4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide
CID 142782521
N-(3-bromophenyl)-6-nitroquinazolin-2-amine
CID 142646683
6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine
CID 53482314
2-[(E)-2-phenylethenyl]furan
CID 642118
bis[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]-dimethylsilane
CID 177455592
2-[2-(4-nitrophenyl)ethenyl]furan
CID 54150881
6-bromo-N-cyclopentylquinazolin-2-amine
CID 118048975

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride?
The IUPAC name of 6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride (CID 141258624) is 6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride.
What is the SMILES notation for 6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride?
The canonical SMILES for 6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride is Brc1ccc2nc(Nc3ccc(/C=C/c4ccco4)cc3)ncc2c1.Cl.
What is the InChIKey of 6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride?
The InChIKey is FEZONPHMRJUEEE-SZKNIZGXSA-N. The full InChI is InChI=1S/C20H14BrN3O.ClH/c21-16-6-10-19-15(12-16)13-22-20(24-19)23-17-7-3-14(4-8-17)5-9-18-2-1-11-25-18;/h1-13H,(H,22,23,24);1H/b9-5+;.
What are the key properties of 6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride?
6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride has a molecular weight of 428.72 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride is sourced from PubChem (CID 141258624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).