2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline

C18H22ClNO — CID 114341778

IUPAC2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline
SMILESCC1(C)CCC(Oc2cc(CCl)nc3ccccc23)CC1
InChIInChI=1S/C18H22ClNO/c1-18(2)9-7-14(8-10-18)21-17-11-13(12-19)20-16-6-4-3-5-15(16)17/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyMOUXZQHCARHWBY-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.32
Rot. Bonds3

About 2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline

2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline (PubChem CID 114341778) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline.

Molecular Properties

Compound Name2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline
PubChem CID114341778
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline
SMILESCC1(C)CCC(Oc2cc(CCl)nc3ccccc23)CC1
InChIInChI=1S/C18H22ClNO/c1-18(2)9-7-14(8-10-18)21-17-11-13(12-19)20-16-6-4-3-5-15(16)17/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyMOUXZQHCARHWBY-UHFFFAOYSA-N
XLogP5.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

2-(chloromethyl)-4-methoxyquinoline
CID 63375679
2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline
CID 63446436
N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine
CID 63377355
4-butoxy-2-(chloromethyl)quinoline
CID 63375315
4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine
CID 114342927
2-(chloromethyl)-4-(1-phenylethoxy)quinoline
CID 63445964
2-(chloromethyl)-4-(3-methylbutoxy)quinoline
CID 55185069
[4-(oxetan-3-yloxy)quinolin-2-yl]methanol
CID 102607123
2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine
CID 63375545
2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid
CID 58948368
2-(chloromethyl)-N-cyclopentyl-N-methylquinolin-4-amine
CID 63375259
1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine
CID 79680327

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline?
The IUPAC name of 2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline (CID 114341778) is 2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline.
What is the SMILES notation for 2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline?
The canonical SMILES for 2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline is CC1(C)CCC(Oc2cc(CCl)nc3ccccc23)CC1.
What is the InChIKey of 2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline?
The InChIKey is MOUXZQHCARHWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-18(2)9-7-14(8-10-18)21-17-11-13(12-19)20-16-6-4-3-5-15(16)17/h3-6,11,14H,7-10,12H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline?
2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline has a molecular weight of 303.83 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline is sourced from PubChem (CID 114341778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).