4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline

C15H15Cl2N — CID 3100731

IUPAC4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline
SMILESCC(Cl)=CCc1c(C)nc2c(C)cccc2c1Cl
InChIInChI=1S/C15H15Cl2N/c1-9-5-4-6-13-14(17)12(8-7-10(2)16)11(3)18-15(9)13/h4-7H,8H2,1-3H3
InChIKeyOBKWIBRAARZFHK-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.19
Rot. Bonds2

About 4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline

4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline (PubChem CID 3100731) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline.

Molecular Properties

Compound Name4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline
PubChem CID3100731
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline
SMILESCC(Cl)=CCc1c(C)nc2c(C)cccc2c1Cl
InChIInChI=1S/C15H15Cl2N/c1-9-5-4-6-13-14(17)12(8-7-10(2)16)11(3)18-15(9)13/h4-7H,8H2,1-3H3
InChIKeyOBKWIBRAARZFHK-UHFFFAOYSA-N
XLogP5.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,8-dichloro-2-methyl-3-prop-2-enylquinoline
CID 826047
2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline
CID 15749820
(3-ethyl-2,8-dimethylquinolin-4-yl)hydrazine
CID 62250072
ethyl 4-chloro-3-[(Z)-3-chlorobut-2-enyl]-2-methylquinoline-6-carboxylate
CID 826095
4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline
CID 1481917
2,3-dichloro-4-fluoro-8-methylquinoline
CID 175326105
N,N,2,8-tetramethyl-3-[3-(methylamino)propyl]quinolin-4-amine
CID 82247606
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
4-chloro-8-methylquinoline-2,3-dicarboxylic acid
CID 141332367
4-chloro-2,8-dimethylquinazoline
CID 71721381
N-ethyl-2,3,8-trimethylquinolin-4-amine
CID 62196442
4-chloro-8-fluoro-2,3-dimethylquinoline
CID 60994965

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline?
The IUPAC name of 4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline (CID 3100731) is 4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline.
What is the SMILES notation for 4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline?
The canonical SMILES for 4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline is CC(Cl)=CCc1c(C)nc2c(C)cccc2c1Cl.
What is the InChIKey of 4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline?
The InChIKey is OBKWIBRAARZFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-9-5-4-6-13-14(17)12(8-7-10(2)16)11(3)18-15(9)13/h4-7H,8H2,1-3H3.
What are the key properties of 4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline?
4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline has a molecular weight of 280.20 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline is sourced from PubChem (CID 3100731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).