N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate

C16H18BrN3O2 — CID 169427940

IUPACN-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
SMILESCc1cc2ncnc(Nc3cccc(Br)c3)c2cc1C.O.O
InChIInChI=1S/C16H14BrN3.2H2O/c1-10-6-14-15(7-11(10)2)18-9-19-16(14)20-13-5-3-4-12(17)8-13;;/h3-9H,1-2H3,(H,18,19,20);2*1H2
InChIKeyVHXXPGLSQMBZHN-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.10
Rot. Bonds2

About N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate

N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate (PubChem CID 169427940) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate.

Molecular Properties

Compound NameN-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
PubChem CID169427940
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC NameN-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
SMILESCc1cc2ncnc(Nc3cccc(Br)c3)c2cc1C.O.O
InChIInChI=1S/C16H14BrN3.2H2O/c1-10-6-14-15(7-11(10)2)18-9-19-16(14)20-13-5-3-4-12(17)8-13;;/h3-9H,1-2H3,(H,18,19,20);2*1H2
InChIKeyVHXXPGLSQMBZHN-UHFFFAOYSA-N
XLogP3.10
TPSA100.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide
CID 143862897
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
N-(3,5-dibromo-4-methylphenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 160598444
N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine
CID 5328318
4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
CID 18685574
4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine
CID 11270441
but-1-ene;3-N-(6,7-dimethylquinazolin-4-yl)benzene-1,3-diamine;ethane
CID 142974670
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate?
The IUPAC name of N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate (CID 169427940) is N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate.
What is the SMILES notation for N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate?
The canonical SMILES for N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate is Cc1cc2ncnc(Nc3cccc(Br)c3)c2cc1C.O.O.
What is the InChIKey of N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate?
The InChIKey is VHXXPGLSQMBZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3.2H2O/c1-10-6-14-15(7-11(10)2)18-9-19-16(14)20-13-5-3-4-12(17)8-13;;/h3-9H,1-2H3,(H,18,19,20);2*1H2.
What are the key properties of N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate?
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate has a molecular weight of 364.24 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate is sourced from PubChem (CID 169427940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).