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

C18H21ClN2 — CID 63445545

IUPAC1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(C)c(CCl)c(N2c3ccccc3CCC2C)n1
InChIInChI=1S/C18H21ClN2/c1-12-10-13(2)20-18(16(12)11-19)21-14(3)8-9-15-6-4-5-7-17(15)21/h4-7,10,14H,8-9,11H2,1-3H3
InChIKeyNOPAJMKWGOSKDO-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.91
Rot. Bonds2

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

1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 63445545) 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]-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID63445545
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(C)c(CCl)c(N2c3ccccc3CCC2C)n1
InChIInChI=1S/C18H21ClN2/c1-12-10-13(2)20-18(16(12)11-19)21-14(3)8-9-15-6-4-5-7-17(15)21/h4-7,10,14H,8-9,11H2,1-3H3
InChIKeyNOPAJMKWGOSKDO-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline (CID 63445545) is 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline is Cc1cc(C)c(CCl)c(N2c3ccccc3CCC2C)n1.
What is the InChIKey of 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is NOPAJMKWGOSKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-12-10-13(2)20-18(16(12)11-19)21-14(3)8-9-15-6-4-5-7-17(15)21/h4-7,10,14H,8-9,11H2,1-3H3.
What are the key properties of 1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline?
1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 300.83 g/mol, XLogP of 4.91, 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]-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 63445545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).