2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline

C12H10Cl3N — CID 15749820

IUPAC2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline
SMILESCc1cccc2c(Cl)c(CCCl)c(Cl)nc12
InChIInChI=1S/C12H10Cl3N/c1-7-3-2-4-8-10(14)9(5-6-13)12(15)16-11(7)8/h2-4H,5-6H2,1H3
InChIKeyHJGJMHPWAIAVMN-UHFFFAOYSA-N
MW274.58 g/mol
LogP4.63
Rot. Bonds2

About 2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline

2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline (PubChem CID 15749820) has the molecular formula C12H10Cl3N and a molecular weight of 274.58 g/mol. Its IUPAC name is 2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline.

Molecular Properties

Compound Name2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline
PubChem CID15749820
Molecular FormulaC12H10Cl3N
Molecular Weight274.58 g/mol
Exact Mass272.99
IUPAC Name2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline
SMILESCc1cccc2c(Cl)c(CCCl)c(Cl)nc12
InChIInChI=1S/C12H10Cl3N/c1-7-3-2-4-8-10(14)9(5-6-13)12(15)16-11(7)8/h2-4H,5-6H2,1H3
InChIKeyHJGJMHPWAIAVMN-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.58
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-4-fluoro-8-methylquinoline
CID 175326105
4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline
CID 1481917
4-chloro-3-(3-chlorobut-2-enyl)-2,8-dimethylquinoline
CID 3100731
4-chloro-2,8-dimethylquinazoline
CID 71721381
4-chloro-8-methylquinazolin-2-amine
CID 10035504
4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one
CID 15749846
2,4-dichloro-8-methylquinoline
CID 2748593
4-chloro-8-methyl-3H-quinazolin-2-one
CID 84773265
4-chloro-8-methylquinoline-2,3-dicarboxylic acid
CID 141332367
4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
CID 63085684
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline?
The IUPAC name of 2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline (CID 15749820) is 2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline.
What is the SMILES notation for 2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline?
The canonical SMILES for 2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline is Cc1cccc2c(Cl)c(CCCl)c(Cl)nc12.
What is the InChIKey of 2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline?
The InChIKey is HJGJMHPWAIAVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N/c1-7-3-2-4-8-10(14)9(5-6-13)12(15)16-11(7)8/h2-4H,5-6H2,1H3.
What are the key properties of 2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline?
2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline has a molecular weight of 274.58 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline is sourced from PubChem (CID 15749820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).