5-chloro-4,8-dimethyl-2,3-dihydroquinoline

C11H12ClN — CID 143804377

IUPAC5-chloro-4,8-dimethyl-2,3-dihydroquinoline
SMILESCC1=c2c(Cl)ccc(C)c2=NCC1
InChIInChI=1S/C11H12ClN/c1-7-5-6-13-11-8(2)3-4-9(12)10(7)11/h3-4H,5-6H2,1-2H3
InChIKeyQGCAUSCJWBUCFU-UHFFFAOYSA-N
MW193.68 g/mol
LogP1.84
Rot. Bonds

About 5-chloro-4,8-dimethyl-2,3-dihydroquinoline

5-chloro-4,8-dimethyl-2,3-dihydroquinoline (PubChem CID 143804377) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 5-chloro-4,8-dimethyl-2,3-dihydroquinoline.

Molecular Properties

Compound Name5-chloro-4,8-dimethyl-2,3-dihydroquinoline
PubChem CID143804377
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name5-chloro-4,8-dimethyl-2,3-dihydroquinoline
SMILESCC1=c2c(Cl)ccc(C)c2=NCC1
InChIInChI=1S/C11H12ClN/c1-7-5-6-13-11-8(2)3-4-9(12)10(7)11/h3-4H,5-6H2,1-2H3
InChIKeyQGCAUSCJWBUCFU-UHFFFAOYSA-N
XLogP1.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chloro-2-methyl-6,7,8,8a-tetrahydroquinoline
CID 67759432
2-chloro-3-cyclopentylidene-4-methyl-2H-quinoline
CID 88611208
6,8-Dimethyl-2,3-dihydroquinoline
CID 90334669
2-Chloro-3,4-di(ethylidene)-5-methylpyridine
CID 91064474
4-Chloro-2,3-dihydroquinoline
CID 123394411
5-Chloro-8-methyl-2,3-dihydroquinoline
CID 123472676
5,8-Dimethyl-2,3-dihydroquinoline
CID 123611149
8-Methyl-2,3-dihydroquinoline
CID 138633758
7-Chloro-4-methyl-2,3-dihydroquinoline
CID 142342570
4-Chloro-6-methyl-2,3-dihydroquinoline
CID 144497190
4-Chloro-7-methyl-2,3-dihydroquinoline
CID 144570092
7-Chloro-2-methyl-2,3-dihydroquinoline
CID 148116963

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,8-dimethyl-2,3-dihydroquinoline?
The IUPAC name of 5-chloro-4,8-dimethyl-2,3-dihydroquinoline (CID 143804377) is 5-chloro-4,8-dimethyl-2,3-dihydroquinoline.
What is the SMILES notation for 5-chloro-4,8-dimethyl-2,3-dihydroquinoline?
The canonical SMILES for 5-chloro-4,8-dimethyl-2,3-dihydroquinoline is CC1=c2c(Cl)ccc(C)c2=NCC1.
What is the InChIKey of 5-chloro-4,8-dimethyl-2,3-dihydroquinoline?
The InChIKey is QGCAUSCJWBUCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-7-5-6-13-11-8(2)3-4-9(12)10(7)11/h3-4H,5-6H2,1-2H3.
What are the key properties of 5-chloro-4,8-dimethyl-2,3-dihydroquinoline?
5-chloro-4,8-dimethyl-2,3-dihydroquinoline has a molecular weight of 193.68 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,8-dimethyl-2,3-dihydroquinoline is sourced from PubChem (CID 143804377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).