(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C18H19NO2 — CID 115782285

IUPAC(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1CCCc2cccnc21
InChIInChI=1S/C18H19NO2/c1-12-8-9-16(21-2)15(11-12)18(20)14-7-3-5-13-6-4-10-19-17(13)14/h4,6,8-11,14H,3,5,7H2,1-2H3
InChIKeyLHYDAUFRFIJFEF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.70
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 115782285) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID115782285
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1CCCc2cccnc21
InChIInChI=1S/C18H19NO2/c1-12-8-9-16(21-2)15(11-12)18(20)14-7-3-5-13-6-4-10-19-17(13)14/h4,6,8-11,14H,3,5,7H2,1-2H3
InChIKeyLHYDAUFRFIJFEF-UHFFFAOYSA-N
XLogP3.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone with MolForge

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Related Compounds

(5-chloro-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783739
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
(6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 102950203
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone
CID 115783768
(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745583
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
(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
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746341
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 115782285) is (2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is COc1ccc(C)cc1C(=O)C1CCCc2cccnc21.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is LHYDAUFRFIJFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-8-9-16(21-2)15(11-12)18(20)14-7-3-5-13-6-4-10-19-17(13)14/h4,6,8-11,14H,3,5,7H2,1-2H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 115782285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).