3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline

C16H17N3O — CID 68979074

IUPAC3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline
SMILESCc1cc(N)ccc1Oc1ccc2c(c1)=CN(C)CN=2
InChIInChI=1S/C16H17N3O/c1-11-7-13(17)3-6-16(11)20-14-4-5-15-12(8-14)9-19(2)10-18-15/h3-9H,10,17H2,1-2H3
InChIKeyHSAFYELJKPVUMC-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.63
Rot. Bonds2

About 3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline

3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline (PubChem CID 68979074) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline.

Molecular Properties

Compound Name3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline
PubChem CID68979074
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline
SMILESCc1cc(N)ccc1Oc1ccc2c(c1)=CN(C)CN=2
InChIInChI=1S/C16H17N3O/c1-11-7-13(17)3-6-16(11)20-14-4-5-15-12(8-14)9-19(2)10-18-15/h3-9H,10,17H2,1-2H3
InChIKeyHSAFYELJKPVUMC-UHFFFAOYSA-N
XLogP1.63
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline?
The IUPAC name of 3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline (CID 68979074) is 3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline.
What is the SMILES notation for 3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline?
The canonical SMILES for 3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline is Cc1cc(N)ccc1Oc1ccc2c(c1)=CN(C)CN=2.
What is the InChIKey of 3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline?
The InChIKey is HSAFYELJKPVUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-7-13(17)3-6-16(11)20-14-4-5-15-12(8-14)9-19(2)10-18-15/h3-9H,10,17H2,1-2H3.
What are the key properties of 3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline?
3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline has a molecular weight of 267.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methyl-2H-quinazolin-6-yl)oxy]aniline is sourced from PubChem (CID 68979074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).