hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline

C22H32N2 — CID 145091188

IUPAChexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
SMILESCCCCCC.Cc1ccc(-c2ccc3c(c2)CCCN3C)cn1
InChIInChI=1S/C16H18N2.C6H14/c1-12-5-6-15(11-17-12)13-7-8-16-14(10-13)4-3-9-18(16)2;1-3-5-6-4-2/h5-8,10-11H,3-4,9H2,1-2H3;3-6H2,1-2H3
InChIKeyBYLTZEBTJIYYEN-UHFFFAOYSA-N
MW324.51 g/mol
LogP6.03
Rot. Bonds4

About hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline

hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline (PubChem CID 145091188) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Namehexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
PubChem CID145091188
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Namehexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
SMILESCCCCCC.Cc1ccc(-c2ccc3c(c2)CCCN3C)cn1
InChIInChI=1S/C16H18N2.C6H14/c1-12-5-6-15(11-17-12)13-7-8-16-14(10-13)4-3-9-18(16)2;1-3-5-6-4-2/h5-8,10-11H,3-4,9H2,1-2H3;3-6H2,1-2H3
InChIKeyBYLTZEBTJIYYEN-UHFFFAOYSA-N
XLogP6.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane
CID 145105898
heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline
CID 145090879
2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane
CID 145091245
7-chloro-1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145090483
4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane
CID 145092401
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714
[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
N-ethyl-6-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrimidin-4-amine
CID 62202397
5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile
CID 121385664
N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine
CID 147895995
1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine
CID 144901537

Frequently Asked Questions

What is the IUPAC name of hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline (CID 145091188) is hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline is CCCCCC.Cc1ccc(-c2ccc3c(c2)CCCN3C)cn1.
What is the InChIKey of hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline?
The InChIKey is BYLTZEBTJIYYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2.C6H14/c1-12-5-6-15(11-17-12)13-7-8-16-14(10-13)4-3-9-18(16)2;1-3-5-6-4-2/h5-8,10-11H,3-4,9H2,1-2H3;3-6H2,1-2H3.
What are the key properties of hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline?
hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline has a molecular weight of 324.51 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 145091188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).