[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol

C16H18N2O — CID 102545819

IUPAC[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol
SMILESCc1cc(N2CCCc3ccccc32)ncc1CO
InChIInChI=1S/C16H18N2O/c1-12-9-16(17-10-14(12)11-19)18-8-4-6-13-5-2-3-7-15(13)18/h2-3,5,7,9-10,19H,4,6,8,11H2,1H3
InChIKeyNCOHPKIIMCDXCP-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.97
Rot. Bonds2

About [6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol

[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol (PubChem CID 102545819) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol
PubChem CID102545819
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol
SMILESCc1cc(N2CCCc3ccccc32)ncc1CO
InChIInChI=1S/C16H18N2O/c1-12-9-16(17-10-14(12)11-19)18-8-4-6-13-5-2-3-7-15(13)18/h2-3,5,7,9-10,19H,4,6,8,11H2,1H3
InChIKeyNCOHPKIIMCDXCP-UHFFFAOYSA-N
XLogP2.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol (CID 102545819) is [6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol is Cc1cc(N2CCCc3ccccc32)ncc1CO.
What is the InChIKey of [6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol?
The InChIKey is NCOHPKIIMCDXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-9-16(17-10-14(12)11-19)18-8-4-6-13-5-2-3-7-15(13)18/h2-3,5,7,9-10,19H,4,6,8,11H2,1H3.
What are the key properties of [6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol?
[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol has a molecular weight of 254.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 102545819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).