(2-chloro-6-quinazolin-4-yloxyphenyl)methanamine

C15H12ClN3O — CID 114323838

IUPAC(2-chloro-6-quinazolin-4-yloxyphenyl)methanamine
SMILESNCc1c(Cl)cccc1Oc1ncnc2ccccc12
InChIInChI=1S/C15H12ClN3O/c16-12-5-3-7-14(11(12)8-17)20-15-10-4-1-2-6-13(10)18-9-19-15/h1-7,9H,8,17H2
InChIKeyYPKWHSDMINPFQI-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.53
Rot. Bonds3

About (2-chloro-6-quinazolin-4-yloxyphenyl)methanamine

(2-chloro-6-quinazolin-4-yloxyphenyl)methanamine (PubChem CID 114323838) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is (2-chloro-6-quinazolin-4-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-quinazolin-4-yloxyphenyl)methanamine
PubChem CID114323838
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name(2-chloro-6-quinazolin-4-yloxyphenyl)methanamine
SMILESNCc1c(Cl)cccc1Oc1ncnc2ccccc12
InChIInChI=1S/C15H12ClN3O/c16-12-5-3-7-14(11(12)8-17)20-15-10-4-1-2-6-13(10)18-9-19-15/h1-7,9H,8,17H2
InChIKeyYPKWHSDMINPFQI-UHFFFAOYSA-N
XLogP3.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenoxy)quinazoline
CID 31538122
(2-chloro-6-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
CID 114323860
[2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine
CID 106541842
[2-chloro-6-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yloxy)phenyl]methanamine
CID 114323882
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 114323825
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
2-quinazolin-4-yloxybenzoic acid
CID 61395473
[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine
CID 106777391
4-ethoxyquinazoline
CID 589708
[4-(2-chlorophenoxy)quinazolin-2-yl]hydrazine
CID 80915745
[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-quinazolin-4-yloxyphenyl)methanamine?
The IUPAC name of (2-chloro-6-quinazolin-4-yloxyphenyl)methanamine (CID 114323838) is (2-chloro-6-quinazolin-4-yloxyphenyl)methanamine.
What is the SMILES notation for (2-chloro-6-quinazolin-4-yloxyphenyl)methanamine?
The canonical SMILES for (2-chloro-6-quinazolin-4-yloxyphenyl)methanamine is NCc1c(Cl)cccc1Oc1ncnc2ccccc12.
What is the InChIKey of (2-chloro-6-quinazolin-4-yloxyphenyl)methanamine?
The InChIKey is YPKWHSDMINPFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-12-5-3-7-14(11(12)8-17)20-15-10-4-1-2-6-13(10)18-9-19-15/h1-7,9H,8,17H2.
What are the key properties of (2-chloro-6-quinazolin-4-yloxyphenyl)methanamine?
(2-chloro-6-quinazolin-4-yloxyphenyl)methanamine has a molecular weight of 285.73 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-quinazolin-4-yloxyphenyl)methanamine is sourced from PubChem (CID 114323838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).