(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C16H16N2O — CID 105114230

IUPAC(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCc1ncccc1C(=O)C1CCCc2cccnc21
InChIInChI=1S/C16H16N2O/c1-11-13(8-4-9-17-11)16(19)14-7-2-5-12-6-3-10-18-15(12)14/h3-4,6,8-10,14H,2,5,7H2,1H3
InChIKeyWFBQPJNAGOVOCH-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.09
Rot. Bonds2

About (2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 105114230) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID105114230
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCc1ncccc1C(=O)C1CCCc2cccnc21
InChIInChI=1S/C16H16N2O/c1-11-13(8-4-9-17-11)16(19)14-7-2-5-12-6-3-10-18-15(12)14/h3-4,6,8-10,14H,2,5,7H2,1H3
InChIKeyWFBQPJNAGOVOCH-UHFFFAOYSA-N
XLogP3.09
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746341
(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782285
(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782129
(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782072
(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745963
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745583
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 105114230) is (2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is Cc1ncccc1C(=O)C1CCCc2cccnc21.
What is the InChIKey of (2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is WFBQPJNAGOVOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-13(8-4-9-17-11)16(19)14-7-2-5-12-6-3-10-18-15(12)14/h3-4,6,8-10,14H,2,5,7H2,1H3.
What are the key properties of (2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 252.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 105114230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).