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

C23H34N2O — CID 145090879

IUPACheptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline
SMILESCCCCCCC.COc1ccc(-c2ccc3c(c2)CCCN3C)cn1
InChIInChI=1S/C16H18N2O.C7H16/c1-18-9-3-4-13-10-12(5-7-15(13)18)14-6-8-16(19-2)17-11-14;1-3-5-7-6-4-2/h5-8,10-11H,3-4,9H2,1-2H3;3-7H2,1-2H3
InChIKeyWHGHTVAEHVPTTP-UHFFFAOYSA-N
MW354.54 g/mol
LogP6.12
Rot. Bonds6

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

heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 145090879) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Nameheptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID145090879
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Nameheptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline
SMILESCCCCCCC.COc1ccc(-c2ccc3c(c2)CCCN3C)cn1
InChIInChI=1S/C16H18N2O.C7H16/c1-18-9-3-4-13-10-12(5-7-15(13)18)14-6-8-16(19-2)17-11-14;1-3-5-7-6-4-2/h5-8,10-11H,3-4,9H2,1-2H3;3-7H2,1-2H3
InChIKeyWHGHTVAEHVPTTP-UHFFFAOYSA-N
XLogP6.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane
CID 145105898
hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145091188
2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane
CID 145091245
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
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
6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline
CID 121305362
2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 126832344
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729

Frequently Asked Questions

What is the IUPAC name of heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline (CID 145090879) is heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline is CCCCCCC.COc1ccc(-c2ccc3c(c2)CCCN3C)cn1.
What is the InChIKey of heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is WHGHTVAEHVPTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.C7H16/c1-18-9-3-4-13-10-12(5-7-15(13)18)14-6-8-16(19-2)17-11-14;1-3-5-7-6-4-2/h5-8,10-11H,3-4,9H2,1-2H3;3-7H2,1-2H3.
What are the key properties of heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline?
heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 354.54 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 145090879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).