4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine

C16H15N3O2 — CID 80874331

IUPAC4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine
SMILESCOc1cc(C)ccc1Oc1nc(N)nc2ccccc12
InChIInChI=1S/C16H15N3O2/c1-10-7-8-13(14(9-10)20-2)21-15-11-5-3-4-6-12(11)18-16(17)19-15/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyZNPDUSKRDNBJJQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.32
Rot. Bonds3

About 4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine

4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine (PubChem CID 80874331) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine
PubChem CID80874331
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine
SMILESCOc1cc(C)ccc1Oc1nc(N)nc2ccccc12
InChIInChI=1S/C16H15N3O2/c1-10-7-8-13(14(9-10)20-2)21-15-11-5-3-4-6-12(11)18-16(17)19-15/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyZNPDUSKRDNBJJQ-UHFFFAOYSA-N
XLogP3.32
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
CID 104708851
4-(2-methylphenoxy)quinazolin-2-amine
CID 80869397
4-(5-fluoro-2-methylphenoxy)quinazolin-2-amine
CID 102989130
4-(2-fluorophenoxy)quinazolin-2-amine
CID 80864583
[4-(2-fluoro-5-methylphenoxy)quinazolin-2-yl]hydrazine
CID 80925069
4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
CID 80739225
2-(2-methoxy-5-methylphenyl)quinolin-4-amine
CID 82091521
4-(4-chloro-3-methylphenoxy)quinazolin-2-amine
CID 80865775
1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine
CID 6407636
8,9-dimethoxy-6-methylphenanthridine
CID 135040288
4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline
CID 63504641
4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine
CID 80866027

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine?
The IUPAC name of 4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine (CID 80874331) is 4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine.
What is the SMILES notation for 4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine?
The canonical SMILES for 4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine is COc1cc(C)ccc1Oc1nc(N)nc2ccccc12.
What is the InChIKey of 4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine?
The InChIKey is ZNPDUSKRDNBJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-7-8-13(14(9-10)20-2)21-15-11-5-3-4-6-12(11)18-16(17)19-15/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine?
4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine has a molecular weight of 281.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine is sourced from PubChem (CID 80874331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).