3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline

C15H12ClN3O2 — CID 141106562

IUPAC3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline
SMILESCOc1ccc2ncnc(Oc3ccc(N)cc3Cl)c2c1
InChIInChI=1S/C15H12ClN3O2/c1-20-10-3-4-13-11(7-10)15(19-8-18-13)21-14-5-2-9(17)6-12(14)16/h2-8H,17H2,1H3
InChIKeyOFROGOJRJICMEE-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.67
Rot. Bonds3

About 3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline

3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline (PubChem CID 141106562) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline
PubChem CID141106562
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline
SMILESCOc1ccc2ncnc(Oc3ccc(N)cc3Cl)c2c1
InChIInChI=1S/C15H12ClN3O2/c1-20-10-3-4-13-11(7-10)15(19-8-18-13)21-14-5-2-9(17)6-12(14)16/h2-8H,17H2,1H3
InChIKeyOFROGOJRJICMEE-UHFFFAOYSA-N
XLogP3.67
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.67
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

4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine
CID 64587942
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
3-chloro-4-thieno[3,2-d]pyrimidin-4-yloxyaniline
CID 43364090
4-(2-bromo-4-methylphenoxy)quinazolin-6-amine
CID 64588727
4-chloro-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540158
3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 62057318
2-(6-methoxyquinazolin-4-yl)ethanamine
CID 105455353
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
CID 157043543
4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane
CID 144548495
3-chloro-4-quinolin-4-yloxyaniline
CID 61341550
3-chloro-4-quinolin-6-yloxyaniline
CID 13490789

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline?
The IUPAC name of 3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline (CID 141106562) is 3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline.
What is the SMILES notation for 3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline?
The canonical SMILES for 3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline is COc1ccc2ncnc(Oc3ccc(N)cc3Cl)c2c1.
What is the InChIKey of 3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline?
The InChIKey is OFROGOJRJICMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-20-10-3-4-13-11(7-10)15(19-8-18-13)21-14-5-2-9(17)6-12(14)16/h2-8H,17H2,1H3.
What are the key properties of 3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline?
3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline has a molecular weight of 301.73 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline is sourced from PubChem (CID 141106562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).