4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline

C11H14ClN — CID 12798309

IUPAC4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline
SMILESCc1cc(Cl)c2c(n1)C(C)CCC2
InChIInChI=1S/C11H14ClN/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h6-7H,3-5H2,1-2H3
InChIKeyBPHPSPMYQQASIS-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.48
Rot. Bonds

About 4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline

4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline (PubChem CID 12798309) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline
PubChem CID12798309
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline
SMILESCc1cc(Cl)c2c(n1)C(C)CCC2
InChIInChI=1S/C11H14ClN/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h6-7H,3-5H2,1-2H3
InChIKeyBPHPSPMYQQASIS-UHFFFAOYSA-N
XLogP3.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-chloro-4-methyl-1,2,3,4-tetrahydroacridine
CID 131881423
7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 4713567
2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline
CID 72743006
(4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
CID 155023347
8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine
CID 62785717
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-8-ol
CID 66714428
5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 60984134
(5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline
CID 13308943
2,5-dimethyl-5,6,7,8-tetrahydroquinoline
CID 13308942
5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63463144
(8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 7114169
5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 115404390

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline (CID 12798309) is 4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline is Cc1cc(Cl)c2c(n1)C(C)CCC2.
What is the InChIKey of 4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is BPHPSPMYQQASIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline?
4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 195.69 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 12798309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).