4-(4-chloro-3-methylphenoxy)quinazolin-2-amine

C15H12ClN3O — CID 80865775

IUPAC4-(4-chloro-3-methylphenoxy)quinazolin-2-amine
SMILESCc1cc(Oc2nc(N)nc3ccccc23)ccc1Cl
InChIInChI=1S/C15H12ClN3O/c1-9-8-10(6-7-12(9)16)20-14-11-4-2-3-5-13(11)18-15(17)19-14/h2-8H,1H3,(H2,17,18,19)
InChIKeyMAWLHPCASAXFSA-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.97
Rot. Bonds2

About 4-(4-chloro-3-methylphenoxy)quinazolin-2-amine

4-(4-chloro-3-methylphenoxy)quinazolin-2-amine (PubChem CID 80865775) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)quinazolin-2-amine
PubChem CID80865775
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-(4-chloro-3-methylphenoxy)quinazolin-2-amine
SMILESCc1cc(Oc2nc(N)nc3ccccc23)ccc1Cl
InChIInChI=1S/C15H12ClN3O/c1-9-8-10(6-7-12(9)16)20-14-11-4-2-3-5-13(11)18-15(17)19-14/h2-8H,1H3,(H2,17,18,19)
InChIKeyMAWLHPCASAXFSA-UHFFFAOYSA-N
XLogP3.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylphenoxy)quinazolin-2-amine
CID 80869397
4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine
CID 80874662
1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine
CID 62141168
4-(5-fluoro-2-methylphenoxy)quinazolin-2-amine
CID 102989130
[4-(3,4-dimethylphenoxy)quinazolin-2-yl]hydrazine
CID 80909907
4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
CID 104708851
[4-(4-chloro-3-fluorophenoxy)quinazolin-2-yl]hydrazine
CID 82719515
4-(2-fluorophenoxy)quinazolin-2-amine
CID 80864583
4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine
CID 80874331
2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline
CID 63505956
2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375215
2-methyl-4-quinazolin-4-yloxyaniline
CID 60895454

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)quinazolin-2-amine?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)quinazolin-2-amine (CID 80865775) is 4-(4-chloro-3-methylphenoxy)quinazolin-2-amine.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)quinazolin-2-amine?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)quinazolin-2-amine is Cc1cc(Oc2nc(N)nc3ccccc23)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)quinazolin-2-amine?
The InChIKey is MAWLHPCASAXFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-8-10(6-7-12(9)16)20-14-11-4-2-3-5-13(11)18-15(17)19-14/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 4-(4-chloro-3-methylphenoxy)quinazolin-2-amine?
4-(4-chloro-3-methylphenoxy)quinazolin-2-amine has a molecular weight of 285.73 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)quinazolin-2-amine is sourced from PubChem (CID 80865775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).