1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline

C16H17ClN2 — CID 61257602

IUPAC1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1c1cc(CCl)ccn1
InChIInChI=1S/C16H17ClN2/c1-12-6-7-14-4-2-3-5-15(14)19(12)16-10-13(11-17)8-9-18-16/h2-5,8-10,12H,6-7,11H2,1H3
InChIKeyBGCQMZVWLPESKA-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.29
Rot. Bonds2

About 1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline

1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 61257602) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID61257602
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1c1cc(CCl)ccn1
InChIInChI=1S/C16H17ClN2/c1-12-6-7-14-4-2-3-5-15(14)19(12)16-10-13(11-17)8-9-18-16/h2-5,8-10,12H,6-7,11H2,1H3
InChIKeyBGCQMZVWLPESKA-UHFFFAOYSA-N
XLogP4.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.29
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

1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 61256792
1-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
CID 55080188
[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanol
CID 61252238
N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80756943
[5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol
CID 114920185
[4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]methanol
CID 61254539
1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
CID 62477779
1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 63445545
2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine
CID 80633282
1-[3-chloro-2-(chloromethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 43121155
[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol
CID 66466369
1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
CID 113378830

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline (CID 61257602) is 1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline is CC1CCc2ccccc2N1c1cc(CCl)ccn1.
What is the InChIKey of 1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is BGCQMZVWLPESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-12-6-7-14-4-2-3-5-15(14)19(12)16-10-13(11-17)8-9-18-16/h2-5,8-10,12H,6-7,11H2,1H3.
What are the key properties of 1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline?
1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 272.78 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 61257602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).