6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine

C15H12ClN3O — CID 58032851

IUPAC6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine
SMILESCOc1ccc(Cl)c(-c2ccc3nc(N)ncc3c2)c1
InChIInChI=1S/C15H12ClN3O/c1-20-11-3-4-13(16)12(7-11)9-2-5-14-10(6-9)8-18-15(17)19-14/h2-8H,1H3,(H2,17,18,19)
InChIKeyUNGQOAOOFFOHMM-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.54
Rot. Bonds2

About 6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine

6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine (PubChem CID 58032851) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine
PubChem CID58032851
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine
SMILESCOc1ccc(Cl)c(-c2ccc3nc(N)ncc3c2)c1
InChIInChI=1S/C15H12ClN3O/c1-20-11-3-4-13(16)12(7-11)9-2-5-14-10(6-9)8-18-15(17)19-14/h2-8H,1H3,(H2,17,18,19)
InChIKeyUNGQOAOOFFOHMM-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine?
The IUPAC name of 6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine (CID 58032851) is 6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine.
What is the SMILES notation for 6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine?
The canonical SMILES for 6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine is COc1ccc(Cl)c(-c2ccc3nc(N)ncc3c2)c1.
What is the InChIKey of 6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine?
The InChIKey is UNGQOAOOFFOHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-20-11-3-4-13(16)12(7-11)9-2-5-14-10(6-9)8-18-15(17)19-14/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine?
6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine has a molecular weight of 285.73 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-methoxyphenyl)quinazolin-2-amine is sourced from PubChem (CID 58032851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).