4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol

C16H14IN3O — CID 18685568

IUPAC4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol
SMILESCc1cc2ncnc(Nc3ccc(O)c(I)c3)c2cc1C
InChIInChI=1S/C16H14IN3O/c1-9-5-12-14(6-10(9)2)18-8-19-16(12)20-11-3-4-15(21)13(17)7-11/h3-8,21H,1-2H3,(H,18,19,20)
InChIKeyWNYGHIFVXZDNHX-UHFFFAOYSA-N
MW391.21 g/mol
LogP4.30
Rot. Bonds2

About 4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol

4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol (PubChem CID 18685568) has the molecular formula C16H14IN3O and a molecular weight of 391.21 g/mol. Its IUPAC name is 4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol.

Molecular Properties

Compound Name4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol
PubChem CID18685568
Molecular FormulaC16H14IN3O
Molecular Weight391.21 g/mol
Exact Mass391.02
IUPAC Name4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol
SMILESCc1cc2ncnc(Nc3ccc(O)c(I)c3)c2cc1C
InChIInChI=1S/C16H14IN3O/c1-9-5-12-14(6-10(9)2)18-8-19-16(12)20-11-3-4-15(21)13(17)7-11/h3-8,21H,1-2H3,(H,18,19,20)
InChIKeyWNYGHIFVXZDNHX-UHFFFAOYSA-N
XLogP4.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
CID 18685574
2,6-dichloro-4-[(6,7-dimethylquinazolin-4-yl)amino]phenol;dihydrate
CID 162053328
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
1-[(6,7-dimethylquinazolin-4-yl)amino]naphthalen-2-ol;dihydrate
CID 159185240
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
N-[4-[(S)-amino(phenyl)methyl]phenyl]-6,7-dimethylquinazolin-4-amine
CID 159200740
N-(3,5-dibromo-4-methylphenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 160598444
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine;dihydrate
CID 159537873
4-[[6,7-bis(hydroxymethyl)quinazolin-4-yl]amino]-2-bromophenol
CID 23863723

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol?
The IUPAC name of 4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol (CID 18685568) is 4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol.
What is the SMILES notation for 4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol?
The canonical SMILES for 4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol is Cc1cc2ncnc(Nc3ccc(O)c(I)c3)c2cc1C.
What is the InChIKey of 4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol?
The InChIKey is WNYGHIFVXZDNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN3O/c1-9-5-12-14(6-10(9)2)18-8-19-16(12)20-11-3-4-15(21)13(17)7-11/h3-8,21H,1-2H3,(H,18,19,20).
What are the key properties of 4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol?
4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol has a molecular weight of 391.21 g/mol, XLogP of 4.30, 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]-2-iodophenol is sourced from PubChem (CID 18685568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).