2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol

C16H15N3O3 — CID 23569361

IUPAC2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
SMILESCOc1cc2c(Nc3ccccc3O)ncnc2cc1CO
InChIInChI=1S/C16H15N3O3/c1-22-15-7-11-13(6-10(15)8-20)17-9-18-16(11)19-12-4-2-3-5-14(12)21/h2-7,9,20-21H,8H2,1H3,(H,17,18,19)
InChIKeyABUXBIFWEDLEEJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.58
Rot. Bonds4

About 2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol

2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol (PubChem CID 23569361) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
PubChem CID23569361
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
SMILESCOc1cc2c(Nc3ccccc3O)ncnc2cc1CO
InChIInChI=1S/C16H15N3O3/c1-22-15-7-11-13(6-10(15)8-20)17-9-18-16(11)19-12-4-2-3-5-14(12)21/h2-7,9,20-21H,8H2,1H3,(H,17,18,19)
InChIKeyABUXBIFWEDLEEJ-UHFFFAOYSA-N
XLogP2.58
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol
CID 23569367
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol
CID 15908166
2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
CID 118112159
6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
CID 137291069
6-ethyl-N-(2-methoxyphenyl)quinazolin-4-amine
CID 21002616
(2R,3S,4R,5R)-6-[4-(2-bromoanilino)-6-methoxyquinazolin-7-yl]-5-fluorohexane-1,2,3,4,6-pentol
CID 140867570
4-(2-methoxyanilino)quinazoline-7-carboxylic acid
CID 1414161
4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
CID 143731355

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol?
The IUPAC name of 2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol (CID 23569361) is 2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol.
What is the SMILES notation for 2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol?
The canonical SMILES for 2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol is COc1cc2c(Nc3ccccc3O)ncnc2cc1CO.
What is the InChIKey of 2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol?
The InChIKey is ABUXBIFWEDLEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-15-7-11-13(6-10(15)8-20)17-9-18-16(11)19-12-4-2-3-5-14(12)21/h2-7,9,20-21H,8H2,1H3,(H,17,18,19).
What are the key properties of 2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol?
2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol has a molecular weight of 297.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol is sourced from PubChem (CID 23569361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).