2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline

C18H22ClNO — CID 63446436

IUPAC2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline
SMILESCCC1CCCCC1Oc1cc(CCl)nc2ccccc12
InChIInChI=1S/C18H22ClNO/c1-2-13-7-3-6-10-17(13)21-18-11-14(12-19)20-16-9-5-4-8-15(16)18/h4-5,8-9,11,13,17H,2-3,6-7,10,12H2,1H3
InChIKeyKKFPGVLJNUEUBI-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.32
Rot. Bonds4

About 2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline

2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline (PubChem CID 63446436) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline
PubChem CID63446436
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline
SMILESCCC1CCCCC1Oc1cc(CCl)nc2ccccc12
InChIInChI=1S/C18H22ClNO/c1-2-13-7-3-6-10-17(13)21-18-11-14(12-19)20-16-9-5-4-8-15(16)18/h4-5,8-9,11,13,17H,2-3,6-7,10,12H2,1H3
InChIKeyKKFPGVLJNUEUBI-UHFFFAOYSA-N
XLogP5.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Methoxyacridine
CID 99383
2-(4-Methoxyphenyl)quinoline
CID 1481967
4-Methoxy-2-Phenylquinoline
CID 826247
6-Ethoxy-2-methylquinoline
CID 81118
5-Methoxy-2-(2-phenylethynyl)quinoline
CID 71562840
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
8-(Benzyloxy)-2-methylquinoline
CID 737473
Quinoline, 2-methyl-4-(vinyloxy)-
CID 3054468
2-Chloro-3-(chloromethyl)-7-methoxyquinoline
CID 2512529
4-Chloro-6-methoxy-2-methylquinoline
CID 610114
4-(4-Phenoxybutoxy)quinoline
CID 42631043
9-Phenoxyacridine
CID 100640

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline?
The IUPAC name of 2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline (CID 63446436) is 2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline.
What is the SMILES notation for 2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline?
The canonical SMILES for 2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline is CCC1CCCCC1Oc1cc(CCl)nc2ccccc12.
What is the InChIKey of 2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline?
The InChIKey is KKFPGVLJNUEUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-2-13-7-3-6-10-17(13)21-18-11-14(12-19)20-16-9-5-4-8-15(16)18/h4-5,8-9,11,13,17H,2-3,6-7,10,12H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline?
2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline has a molecular weight of 303.83 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline is sourced from PubChem (CID 63446436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).