1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline

C18H21ClN2 — CID 63445814

IUPAC1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2c1nc(C)cc(C)c1CCl
InChIInChI=1S/C18H21ClN2/c1-12-6-7-17-15(9-12)5-4-8-21(17)18-16(11-19)13(2)10-14(3)20-18/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyVOEJAQZOIUPIKU-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.83
Rot. Bonds2

About 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline

1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline (PubChem CID 63445814) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline
PubChem CID63445814
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2c1nc(C)cc(C)c1CCl
InChIInChI=1S/C18H21ClN2/c1-12-6-7-17-15(9-12)5-4-8-21(17)18-16(11-19)13(2)10-14(3)20-18/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyVOEJAQZOIUPIKU-UHFFFAOYSA-N
XLogP4.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.83
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-(3,4-dihydro-2H-quinolin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256015
1-[3-chloro-2-(chloromethyl)phenyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 28946471
5-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80754656
6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
CID 70285979
2-methyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbonitrile
CID 114765786
1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline
CID 80946353
N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80755883
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 94674661
5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 107079637
5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid
CID 114405287
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 116796345
[6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
CID 81249502

Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline (CID 63445814) is 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCCN2c1nc(C)cc(C)c1CCl.
What is the InChIKey of 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is VOEJAQZOIUPIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-12-6-7-17-15(9-12)5-4-8-21(17)18-16(11-19)13(2)10-14(3)20-18/h6-7,9-10H,4-5,8,11H2,1-3H3.
What are the key properties of 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline?
1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 300.83 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 63445814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).