4-chloro-3-(2-chloroethyl)-6-methylquinoline

C12H11Cl2N — CID 817864

IUPAC4-chloro-3-(2-chloroethyl)-6-methylquinoline
SMILESCc1ccc2ncc(CCCl)c(Cl)c2c1
InChIInChI=1S/C12H11Cl2N/c1-8-2-3-11-10(6-8)12(14)9(4-5-13)7-15-11/h2-3,6-7H,4-5H2,1H3
InChIKeyQRLCGNPRNGFCNH-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.98
Rot. Bonds2

About 4-chloro-3-(2-chloroethyl)-6-methylquinoline

4-chloro-3-(2-chloroethyl)-6-methylquinoline (PubChem CID 817864) has the molecular formula C12H11Cl2N and a molecular weight of 240.13 g/mol. Its IUPAC name is 4-chloro-3-(2-chloroethyl)-6-methylquinoline.

Molecular Properties

Compound Name4-chloro-3-(2-chloroethyl)-6-methylquinoline
PubChem CID817864
Molecular FormulaC12H11Cl2N
Molecular Weight240.13 g/mol
Exact Mass239.03
IUPAC Name4-chloro-3-(2-chloroethyl)-6-methylquinoline
SMILESCc1ccc2ncc(CCCl)c(Cl)c2c1
InChIInChI=1S/C12H11Cl2N/c1-8-2-3-11-10(6-8)12(14)9(4-5-13)7-15-11/h2-3,6-7H,4-5H2,1H3
InChIKeyQRLCGNPRNGFCNH-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-6-methylquinolin-3-yl)acetic acid
CID 84699091
4-chloro-3-(3-chloropropyl)-6-methoxyquinoline
CID 89139556
2-(4,6-dichloroquinolin-3-yl)ethyl formate
CID 174637327
sodium 4-chloro-6-methylquinoline-3-carboxylate
CID 23678977
2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate
CID 174795213
3,4-dichloro-2,6-dimethylquinoline
CID 54483448
6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one
CID 176655507
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline
CID 71823834
2-methyl-9-[2-(6-methylphenanthren-3-yl)ethyl]phenanthridine
CID 134512257
3-(aminomethyl)-4-chloroquinolin-6-ol
CID 115026165
9-chloro-2,3,7-trimethylacridine
CID 19749386

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-chloroethyl)-6-methylquinoline?
The IUPAC name of 4-chloro-3-(2-chloroethyl)-6-methylquinoline (CID 817864) is 4-chloro-3-(2-chloroethyl)-6-methylquinoline.
What is the SMILES notation for 4-chloro-3-(2-chloroethyl)-6-methylquinoline?
The canonical SMILES for 4-chloro-3-(2-chloroethyl)-6-methylquinoline is Cc1ccc2ncc(CCCl)c(Cl)c2c1.
What is the InChIKey of 4-chloro-3-(2-chloroethyl)-6-methylquinoline?
The InChIKey is QRLCGNPRNGFCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N/c1-8-2-3-11-10(6-8)12(14)9(4-5-13)7-15-11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 4-chloro-3-(2-chloroethyl)-6-methylquinoline?
4-chloro-3-(2-chloroethyl)-6-methylquinoline has a molecular weight of 240.13 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-chloroethyl)-6-methylquinoline is sourced from PubChem (CID 817864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).