5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol

C17H17N3O3 — CID 10425574

IUPAC5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol
SMILESCOc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC
InChIInChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
InChIKeyXRFFUVUJIBWJII-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.40
Rot. Bonds4

About 5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol

5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol (PubChem CID 10425574) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol.

Molecular Properties

Compound Name5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol
PubChem CID10425574
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol
SMILESCOc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC
InChIInChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
InChIKeyXRFFUVUJIBWJII-UHFFFAOYSA-N
XLogP3.40
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol?
The IUPAC name of 5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol (CID 10425574) is 5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol.
What is the SMILES notation for 5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol?
The canonical SMILES for 5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol is COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC.
What is the InChIKey of 5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol?
The InChIKey is XRFFUVUJIBWJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20).
What are the key properties of 5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol?
5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol has a molecular weight of 311.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenol is sourced from PubChem (CID 10425574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).