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'}

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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).