(2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline

C16H18N2 — CID 175045275

IUPAC(2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline
SMILESCc1cccc(-c2cccc3c2N[C@@H](C)CC3)n1
InChIInChI=1S/C16H18N2/c1-11-5-3-8-15(17-11)14-7-4-6-13-10-9-12(2)18-16(13)14/h3-8,12,18H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyZRTMNIUGIUHTHE-LBPRGKRZSA-N
MW238.33 g/mol
LogP3.80
Rot. Bonds1

About (2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline

(2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 175045275) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline
PubChem CID175045275
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline
SMILESCc1cccc(-c2cccc3c2N[C@@H](C)CC3)n1
InChIInChI=1S/C16H18N2/c1-11-5-3-8-15(17-11)14-7-4-6-13-10-9-12(2)18-16(13)14/h3-8,12,18H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyZRTMNIUGIUHTHE-LBPRGKRZSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline (CID 175045275) is (2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline is Cc1cccc(-c2cccc3c2N[C@@H](C)CC3)n1.
What is the InChIKey of (2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZRTMNIUGIUHTHE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2/c1-11-5-3-8-15(17-11)14-7-4-6-13-10-9-12(2)18-16(13)14/h3-8,12,18H,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline?
(2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 238.33 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 175045275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).