4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline

C16H12Cl2N2 — CID 114591688

IUPAC4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline
SMILESCc1cccc(-c2nc(Cl)c3c(C)ccc(Cl)c3n2)c1
InChIInChI=1S/C16H12Cl2N2/c1-9-4-3-5-11(8-9)16-19-14-12(17)7-6-10(2)13(14)15(18)20-16/h3-8H,1-2H3
InChIKeyKTGYNASENFJJCM-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.22
Rot. Bonds1

About 4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline

4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline (PubChem CID 114591688) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline.

Molecular Properties

Compound Name4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline
PubChem CID114591688
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline
SMILESCc1cccc(-c2nc(Cl)c3c(C)ccc(Cl)c3n2)c1
InChIInChI=1S/C16H12Cl2N2/c1-9-4-3-5-11(8-9)16-19-14-12(17)7-6-10(2)13(14)15(18)20-16/h3-8H,1-2H3
InChIKeyKTGYNASENFJJCM-UHFFFAOYSA-N
XLogP5.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine
CID 66316828
4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline
CID 114591679
4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine
CID 63612987
4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
CID 114589862
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
4-chloro-8-methoxy-5-methyl-2-(4-methylphenyl)quinazoline
CID 114589935
4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 114590337
6,8-dichloro-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
CID 64983276
4-chloro-5-methyl-2-(4-methylphenyl)quinazoline
CID 63086037

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline?
The IUPAC name of 4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline (CID 114591688) is 4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline.
What is the SMILES notation for 4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline?
The canonical SMILES for 4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline is Cc1cccc(-c2nc(Cl)c3c(C)ccc(Cl)c3n2)c1.
What is the InChIKey of 4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline?
The InChIKey is KTGYNASENFJJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c1-9-4-3-5-11(8-9)16-19-14-12(17)7-6-10(2)13(14)15(18)20-16/h3-8H,1-2H3.
What are the key properties of 4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline?
4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline has a molecular weight of 303.19 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline is sourced from PubChem (CID 114591688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).