4-[(6,7-dimethylquinazolin-4-yl)amino]phenol

C16H15N3O — CID 18685574

IUPAC4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
SMILESCc1cc2ncnc(Nc3ccc(O)cc3)c2cc1C
InChIInChI=1S/C16H15N3O/c1-10-7-14-15(8-11(10)2)17-9-18-16(14)19-12-3-5-13(20)6-4-12/h3-9,20H,1-2H3,(H,17,18,19)
InChIKeyHGLYVLUNPBACGI-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.70
Rot. Bonds2

About 4-[(6,7-dimethylquinazolin-4-yl)amino]phenol

4-[(6,7-dimethylquinazolin-4-yl)amino]phenol (PubChem CID 18685574) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(6,7-dimethylquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
PubChem CID18685574
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
SMILESCc1cc2ncnc(Nc3ccc(O)cc3)c2cc1C
InChIInChI=1S/C16H15N3O/c1-10-7-14-15(8-11(10)2)17-9-18-16(14)19-12-3-5-13(20)6-4-12/h3-9,20H,1-2H3,(H,17,18,19)
InChIKeyHGLYVLUNPBACGI-UHFFFAOYSA-N
XLogP3.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol
CID 18685568
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
2,6-dichloro-4-[(6,7-dimethylquinazolin-4-yl)amino]phenol;dihydrate
CID 162053328
N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine
CID 159200740
4-([1,3]dioxolo[4,5-g]quinazolin-8-ylamino)phenol
CID 19963156
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
N-(3,5-dibromo-4-methylphenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 160598444
4-anilinoquinazolin-6-ol;ethane
CID 91520479
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethylquinazolin-4-yl)amino]phenol?
The IUPAC name of 4-[(6,7-dimethylquinazolin-4-yl)amino]phenol (CID 18685574) is 4-[(6,7-dimethylquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(6,7-dimethylquinazolin-4-yl)amino]phenol?
The canonical SMILES for 4-[(6,7-dimethylquinazolin-4-yl)amino]phenol is Cc1cc2ncnc(Nc3ccc(O)cc3)c2cc1C.
What is the InChIKey of 4-[(6,7-dimethylquinazolin-4-yl)amino]phenol?
The InChIKey is HGLYVLUNPBACGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-7-14-15(8-11(10)2)17-9-18-16(14)19-12-3-5-13(20)6-4-12/h3-9,20H,1-2H3,(H,17,18,19).
What are the key properties of 4-[(6,7-dimethylquinazolin-4-yl)amino]phenol?
4-[(6,7-dimethylquinazolin-4-yl)amino]phenol has a molecular weight of 265.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethylquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 18685574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).