3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol

C21H17N3O3 — CID 86766630

IUPAC3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol
SMILESCOc1cc2ncnc(Nc3cccc(O)c3)c2cc1-c1ccc(O)cc1
InChIInChI=1S/C21H17N3O3/c1-27-20-11-19-18(10-17(20)13-5-7-15(25)8-6-13)21(23-12-22-19)24-14-3-2-4-16(26)9-14/h2-12,25-26H,1H3,(H,22,23,24)
InChIKeyIDLIZJWWQMZOEP-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.46
Rot. Bonds4

About 3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol

3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol (PubChem CID 86766630) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol
PubChem CID86766630
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol
SMILESCOc1cc2ncnc(Nc3cccc(O)c3)c2cc1-c1ccc(O)cc1
InChIInChI=1S/C21H17N3O3/c1-27-20-11-19-18(10-17(20)13-5-7-15(25)8-6-13)21(23-12-22-19)24-14-3-2-4-16(26)9-14/h2-12,25-26H,1H3,(H,22,23,24)
InChIKeyIDLIZJWWQMZOEP-UHFFFAOYSA-N
XLogP4.46
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 3794
CID 3794
CID 6926621
CID 6926621
CID 3798
CID 3798
CID 5328201
CID 5328201
CID 5687
CID 5687
CID 5328015
CID 5328015
CID 1474853
CID 1474853
CID 5329010
CID 5329010
CID 5330318
CID 5330318
CID 10425574
CID 10425574
CID 1474877
CID 1474877
CID 1474883
CID 1474883

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol?
The IUPAC name of 3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol (CID 86766630) is 3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol?
The canonical SMILES for 3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol is COc1cc2ncnc(Nc3cccc(O)c3)c2cc1-c1ccc(O)cc1.
What is the InChIKey of 3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol?
The InChIKey is IDLIZJWWQMZOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-27-20-11-19-18(10-17(20)13-5-7-15(25)8-6-13)21(23-12-22-19)24-14-3-2-4-16(26)9-14/h2-12,25-26H,1H3,(H,22,23,24).
What are the key properties of 3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol?
3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol has a molecular weight of 359.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-hydroxyphenyl)-7-methoxyquinazolin-4-yl]amino]phenol is sourced from PubChem (CID 86766630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).