4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline

C17H13Cl2N — CID 23614355

IUPAC4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline
SMILESClc1cccc(CCc2cc(Cl)c3ccccc3n2)c1
InChIInChI=1S/C17H13Cl2N/c18-13-5-3-4-12(10-13)8-9-14-11-16(19)15-6-1-2-7-17(15)20-14/h1-7,10-11H,8-9H2
InChIKeyALHOIDFZNZGPBP-UHFFFAOYSA-N
MW302.20 g/mol
LogP5.33
Rot. Bonds3

About 4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline

4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline (PubChem CID 23614355) has the molecular formula C17H13Cl2N and a molecular weight of 302.20 g/mol. Its IUPAC name is 4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline.

Molecular Properties

Compound Name4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline
PubChem CID23614355
Molecular FormulaC17H13Cl2N
Molecular Weight302.20 g/mol
Exact Mass301.04
IUPAC Name4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline
SMILESClc1cccc(CCc2cc(Cl)c3ccccc3n2)c1
InChIInChI=1S/C17H13Cl2N/c18-13-5-3-4-12(10-13)8-9-14-11-16(19)15-6-1-2-7-17(15)20-14/h1-7,10-11H,8-9H2
InChIKeyALHOIDFZNZGPBP-UHFFFAOYSA-N
XLogP5.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.20
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-decylquinoline
CID 171487257
3-(4-chloroquinolin-2-yl)-1-phenylpropan-1-one
CID 132941648
N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449
[4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol
CID 65126437
4-chloro-2-(phenoxymethyl)quinoline
CID 134835185
N-benzyl-4-chloroquinolin-2-amine
CID 146441058
2-[3-(bromomethyl)phenyl]-4-chloroquinoline
CID 11809748
N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine
CID 58523909
N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80903388
4-chloro-2,6-dipropylquinoline
CID 43668449
1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978652
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline?
The IUPAC name of 4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline (CID 23614355) is 4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline.
What is the SMILES notation for 4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline?
The canonical SMILES for 4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline is Clc1cccc(CCc2cc(Cl)c3ccccc3n2)c1.
What is the InChIKey of 4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline?
The InChIKey is ALHOIDFZNZGPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N/c18-13-5-3-4-12(10-13)8-9-14-11-16(19)15-6-1-2-7-17(15)20-14/h1-7,10-11H,8-9H2.
What are the key properties of 4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline?
4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline has a molecular weight of 302.20 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline is sourced from PubChem (CID 23614355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).