2-chloro-3-(1-phenylethoxymethyl)quinoline

C18H16ClNO — CID 60921717

IUPAC2-chloro-3-(1-phenylethoxymethyl)quinoline
SMILESCC(OCc1cc2ccccc2nc1Cl)c1ccccc1
InChIInChI=1S/C18H16ClNO/c1-13(14-7-3-2-4-8-14)21-12-16-11-15-9-5-6-10-17(15)20-18(16)19/h2-11,13H,12H2,1H3
InChIKeyFXSWBMFDPVXGQS-UHFFFAOYSA-N
MW297.79 g/mol
LogP5.17
Rot. Bonds4

About 2-chloro-3-(1-phenylethoxymethyl)quinoline

2-chloro-3-(1-phenylethoxymethyl)quinoline (PubChem CID 60921717) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-3-(1-phenylethoxymethyl)quinoline.

Molecular Properties

Compound Name2-chloro-3-(1-phenylethoxymethyl)quinoline
PubChem CID60921717
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name2-chloro-3-(1-phenylethoxymethyl)quinoline
SMILESCC(OCc1cc2ccccc2nc1Cl)c1ccccc1
InChIInChI=1S/C18H16ClNO/c1-13(14-7-3-2-4-8-14)21-12-16-11-15-9-5-6-10-17(15)20-18(16)19/h2-11,13H,12H2,1H3
InChIKeyFXSWBMFDPVXGQS-UHFFFAOYSA-N
XLogP5.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline
CID 103487973
2-chloro-3-(3-methylbutan-2-ylsulfanylmethyl)quinoline
CID 107747458
(2-chloroquinolin-3-yl)methyl methanesulfonate
CID 22388059
2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690
tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane
CID 144823426
3-benzyl-2-chloroquinoline
CID 14001237
(2-chloroquinolin-3-yl)methanamine
CID 71748539
N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine
CID 54938310
2-[(2-chloroquinolin-3-yl)methoxy]aniline
CID 61026521
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
(2-chloroquinolin-3-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 9459242
(2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate
CID 9487282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1-phenylethoxymethyl)quinoline?
The IUPAC name of 2-chloro-3-(1-phenylethoxymethyl)quinoline (CID 60921717) is 2-chloro-3-(1-phenylethoxymethyl)quinoline.
What is the SMILES notation for 2-chloro-3-(1-phenylethoxymethyl)quinoline?
The canonical SMILES for 2-chloro-3-(1-phenylethoxymethyl)quinoline is CC(OCc1cc2ccccc2nc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-3-(1-phenylethoxymethyl)quinoline?
The InChIKey is FXSWBMFDPVXGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-13(14-7-3-2-4-8-14)21-12-16-11-15-9-5-6-10-17(15)20-18(16)19/h2-11,13H,12H2,1H3.
What are the key properties of 2-chloro-3-(1-phenylethoxymethyl)quinoline?
2-chloro-3-(1-phenylethoxymethyl)quinoline has a molecular weight of 297.79 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-phenylethoxymethyl)quinoline is sourced from PubChem (CID 60921717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).