N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride

C22H19BrClN3O — CID 159999209

IUPACN-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride
SMILESCc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3Br)c2cc1C.Cl
InChIInChI=1S/C22H18BrN3O.ClH/c1-14-10-18-21(11-15(14)2)24-13-25-22(18)26-20-9-8-17(12-19(20)23)27-16-6-4-3-5-7-16;/h3-13H,1-2H3,(H,24,25,26);1H
InChIKeyCVHDZZSIXNBQJL-UHFFFAOYSA-N
MW456.77 g/mol
LogP6.97
Rot. Bonds4

About N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride

N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride (PubChem CID 159999209) has the molecular formula C22H19BrClN3O and a molecular weight of 456.77 g/mol. Its IUPAC name is N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride
PubChem CID159999209
Molecular FormulaC22H19BrClN3O
Molecular Weight456.77 g/mol
Exact Mass455.04
IUPAC NameN-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride
SMILESCc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3Br)c2cc1C.Cl
InChIInChI=1S/C22H18BrN3O.ClH/c1-14-10-18-21(11-15(14)2)24-13-25-22(18)26-20-9-8-17(12-19(20)23)27-16-6-4-3-5-7-16;/h3-13H,1-2H3,(H,24,25,26);1H
InChIKeyCVHDZZSIXNBQJL-UHFFFAOYSA-N
XLogP6.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.77
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine
CID 159040870
6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine
CID 159040871
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
N-(2-bromo-4-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine
CID 141250948
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
7-methyl-6-nitro-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 167668769
6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine
CID 122628532
[5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol
CID 18685581
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride (CID 159999209) is N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride is Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3Br)c2cc1C.Cl.
What is the InChIKey of N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride?
The InChIKey is CVHDZZSIXNBQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O.ClH/c1-14-10-18-21(11-15(14)2)24-13-25-22(18)26-20-9-8-17(12-19(20)23)27-16-6-4-3-5-7-16;/h3-13H,1-2H3,(H,24,25,26);1H.
What are the key properties of N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride?
N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride has a molecular weight of 456.77 g/mol, XLogP of 6.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 159999209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).