[5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol

C17H16BrN3O — CID 18685581

IUPAC[5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol
SMILESCc1cc2ncnc(Nc3ccc(Br)cc3CO)c2cc1C
InChIInChI=1S/C17H16BrN3O/c1-10-5-14-16(6-11(10)2)19-9-20-17(14)21-15-4-3-13(18)7-12(15)8-22/h3-7,9,22H,8H2,1-2H3,(H,19,20,21)
InChIKeyAHFUKMQHJWEBRY-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.25
Rot. Bonds3

About [5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol

[5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol (PubChem CID 18685581) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is [5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol
PubChem CID18685581
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name[5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol
SMILESCc1cc2ncnc(Nc3ccc(Br)cc3CO)c2cc1C
InChIInChI=1S/C17H16BrN3O/c1-10-5-14-16(6-11(10)2)19-9-20-17(14)21-15-4-3-13(18)7-12(15)8-22/h3-7,9,22H,8H2,1-2H3,(H,19,20,21)
InChIKeyAHFUKMQHJWEBRY-UHFFFAOYSA-N
XLogP4.25
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol with MolForge

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Related Compounds

N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
CID 18685574
N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride
CID 159999209
N-(3,5-dibromo-4-methylphenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 160598444
4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 81288855
2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
CID 23569361
1-[(6,7-dimethylquinazolin-4-yl)amino]naphthalen-2-ol;dihydrate
CID 159185240
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide
CID 143862897

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol?
The IUPAC name of [5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol (CID 18685581) is [5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol?
The canonical SMILES for [5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol is Cc1cc2ncnc(Nc3ccc(Br)cc3CO)c2cc1C.
What is the InChIKey of [5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol?
The InChIKey is AHFUKMQHJWEBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-10-5-14-16(6-11(10)2)19-9-20-17(14)21-15-4-3-13(18)7-12(15)8-22/h3-7,9,22H,8H2,1-2H3,(H,19,20,21).
What are the key properties of [5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol?
[5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol has a molecular weight of 358.24 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]phenyl]methanol is sourced from PubChem (CID 18685581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).