2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine

C16H14ClN3 — CID 107100374

IUPAC2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine
SMILESCc1c(Cl)cccc1-c1nc(N)c2cccc(C)c2n1
InChIInChI=1S/C16H14ClN3/c1-9-5-3-7-12-14(9)19-16(20-15(12)18)11-6-4-8-13(17)10(11)2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyLLJQFDDLACRIEI-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.15
Rot. Bonds1

About 2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine

2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine (PubChem CID 107100374) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine
PubChem CID107100374
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine
SMILESCc1c(Cl)cccc1-c1nc(N)c2cccc(C)c2n1
InChIInChI=1S/C16H14ClN3/c1-9-5-3-7-12-14(9)19-16(20-15(12)18)11-6-4-8-13(17)10(11)2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyLLJQFDDLACRIEI-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-(4-chlorophenyl)-8-methylquinazolin-4-amine
CID 64983313
2-(2-methoxyphenyl)-8-methylquinazolin-4-amine
CID 64983688
2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine
CID 103406366
8-methyl-2-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 64983358
4-chloro-8-methylquinazolin-2-amine
CID 10035504
4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline
CID 107096285
3-(3-chloro-2-methylphenyl)-5-fluoropyridine-2,6-diamine
CID 139389926
4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
CID 106860907
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
CID 81453930
4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline
CID 63086198
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-amine
CID 155659770

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine?
The IUPAC name of 2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine (CID 107100374) is 2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine is Cc1c(Cl)cccc1-c1nc(N)c2cccc(C)c2n1.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine?
The InChIKey is LLJQFDDLACRIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-9-5-3-7-12-14(9)19-16(20-15(12)18)11-6-4-8-13(17)10(11)2/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine?
2-(3-chloro-2-methylphenyl)-8-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-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine is sourced from PubChem (CID 107100374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).