4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline

C18H17ClN2 — CID 114589846

IUPAC4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline
SMILESCc1cc(C)cc(-c2nc(Cl)c3c(C)cc(C)cc3n2)c1
InChIInChI=1S/C18H17ClN2/c1-10-5-11(2)8-14(7-10)18-20-15-9-12(3)6-13(4)16(15)17(19)21-18/h5-9H,1-4H3
InChIKeyVGLOHUDLZHRSJO-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.18
Rot. Bonds1

About 4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline

4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline (PubChem CID 114589846) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline
PubChem CID114589846
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline
SMILESCc1cc(C)cc(-c2nc(Cl)c3c(C)cc(C)cc3n2)c1
InChIInChI=1S/C18H17ClN2/c1-10-5-11(2)8-14(7-10)18-20-15-9-12(3)6-13(4)16(15)17(19)21-18/h5-9H,1-4H3
InChIKeyVGLOHUDLZHRSJO-UHFFFAOYSA-N
XLogP5.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline
CID 107999704
4-chloro-5-methyl-2-(4-methylphenyl)quinazoline
CID 63086037
4-chloro-2-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405558
4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline
CID 114591652
4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine
CID 63549645
2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine
CID 163789104
9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381881
5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine
CID 66312284
6-bromo-4-chloro-2-(3-chloro-5-methylphenyl)quinazoline
CID 81324003
4-chloro-2-ethyl-3,5,7-trimethylquinoline
CID 63561497
2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
CID 118404990
4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313448

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline?
The IUPAC name of 4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline (CID 114589846) is 4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline.
What is the SMILES notation for 4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline?
The canonical SMILES for 4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline is Cc1cc(C)cc(-c2nc(Cl)c3c(C)cc(C)cc3n2)c1.
What is the InChIKey of 4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline?
The InChIKey is VGLOHUDLZHRSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-10-5-11(2)8-14(7-10)18-20-15-9-12(3)6-13(4)16(15)17(19)21-18/h5-9H,1-4H3.
What are the key properties of 4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline?
4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline has a molecular weight of 296.80 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline is sourced from PubChem (CID 114589846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).