5-methoxy-2-quinazolin-2-yloxyaniline

C15H13N3O2 — CID 114789345

IUPAC5-methoxy-2-quinazolin-2-yloxyaniline
SMILESCOc1ccc(Oc2ncc3ccccc3n2)c(N)c1
InChIInChI=1S/C15H13N3O2/c1-19-11-6-7-14(12(16)8-11)20-15-17-9-10-4-2-3-5-13(10)18-15/h2-9H,16H2,1H3
InChIKeyQWOXBJBGHIMEKY-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.01
Rot. Bonds3

About 5-methoxy-2-quinazolin-2-yloxyaniline

5-methoxy-2-quinazolin-2-yloxyaniline (PubChem CID 114789345) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-methoxy-2-quinazolin-2-yloxyaniline.

Molecular Properties

Compound Name5-methoxy-2-quinazolin-2-yloxyaniline
PubChem CID114789345
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-methoxy-2-quinazolin-2-yloxyaniline
SMILESCOc1ccc(Oc2ncc3ccccc3n2)c(N)c1
InChIInChI=1S/C15H13N3O2/c1-19-11-6-7-14(12(16)8-11)20-15-17-9-10-4-2-3-5-13(10)18-15/h2-9H,16H2,1H3
InChIKeyQWOXBJBGHIMEKY-UHFFFAOYSA-N
XLogP3.01
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375214
2-methoxyquinazoline
CID 594801
2-(3-bromo-4-fluorophenoxy)quinazoline
CID 114788785
4-bromo-3-quinazolin-2-yloxyaniline
CID 103011850
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
4-(2-amino-4-methoxyphenoxy)phenol
CID 22117697
5-methyl-2-quinazolin-2-yloxybenzoic acid
CID 114789657
5-methoxy-2-(1-phenylethoxy)aniline
CID 62058742
2-[(5-chloro-2-pyridinyl)oxy]-5-methoxyaniline
CID 43173743
2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline
CID 113413727
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
CID 105367213
2-(5-bromo-2-chlorophenoxy)quinazoline
CID 114788780

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-quinazolin-2-yloxyaniline?
The IUPAC name of 5-methoxy-2-quinazolin-2-yloxyaniline (CID 114789345) is 5-methoxy-2-quinazolin-2-yloxyaniline.
What is the SMILES notation for 5-methoxy-2-quinazolin-2-yloxyaniline?
The canonical SMILES for 5-methoxy-2-quinazolin-2-yloxyaniline is COc1ccc(Oc2ncc3ccccc3n2)c(N)c1.
What is the InChIKey of 5-methoxy-2-quinazolin-2-yloxyaniline?
The InChIKey is QWOXBJBGHIMEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-19-11-6-7-14(12(16)8-11)20-15-17-9-10-4-2-3-5-13(10)18-15/h2-9H,16H2,1H3.
What are the key properties of 5-methoxy-2-quinazolin-2-yloxyaniline?
5-methoxy-2-quinazolin-2-yloxyaniline has a molecular weight of 267.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-quinazolin-2-yloxyaniline is sourced from PubChem (CID 114789345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).