2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine

C16H14ClN3 — CID 106864165

IUPAC2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(C)ccc3n2)c(Cl)c1
InChIInChI=1S/C16H14ClN3/c1-9-4-6-14-12(7-9)15(18)20-16(19-14)11-5-3-10(2)8-13(11)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyGYKQCNMAVYORPO-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.15
Rot. Bonds1

About 2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine

2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine (PubChem CID 106864165) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine
PubChem CID106864165
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(C)ccc3n2)c(Cl)c1
InChIInChI=1S/C16H14ClN3/c1-9-4-6-14-12(7-9)15(18)20-16(19-14)11-5-3-10(2)8-13(11)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyGYKQCNMAVYORPO-UHFFFAOYSA-N
XLogP4.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)quinazolin-4-amine
CID 106863649
2-(2,5-dimethylphenyl)-6-methylquinazolin-4-amine
CID 64983731
2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983776
6-chloro-2-(2-fluoro-5-methylphenyl)quinazolin-4-amine
CID 64983529
4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906
2-(4-bromo-2-chlorophenyl)quinazolin-4-amine
CID 62175155
6-bromo-2-(2-chlorophenyl)quinazolin-4-amine
CID 64983536
2-(4-amino-2-chlorophenyl)quinazolin-4-amine
CID 89358180
2-(4-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983774
2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine
CID 65238624
2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine
CID 64983492
2-cyclopropyl-6-methylquinazolin-4-amine
CID 103691727

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine (CID 106864165) is 2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine is Cc1ccc(-c2nc(N)c3cc(C)ccc3n2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine?
The InChIKey is GYKQCNMAVYORPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-9-4-6-14-12(7-9)15(18)20-16(19-14)11-5-3-10(2)8-13(11)17/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine?
2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-6-methylquinazolin-4-amine is sourced from PubChem (CID 106864165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).