2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one

C21H20N2O2 — CID 155096214

IUPAC2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1[nH]c2c(c(=O)c1-c1ccc(Oc3ccccc3)nc1)CCCC2
InChIInChI=1S/C21H20N2O2/c1-14-20(21(24)17-9-5-6-10-18(17)23-14)15-11-12-19(22-13-15)25-16-7-3-2-4-8-16/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,23,24)
InChIKeyLQHDBHXCYZMASP-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.42
Rot. Bonds3

About 2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one

2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 155096214) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID155096214
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1[nH]c2c(c(=O)c1-c1ccc(Oc3ccccc3)nc1)CCCC2
InChIInChI=1S/C21H20N2O2/c1-14-20(21(24)17-9-5-6-10-18(17)23-14)15-11-12-19(22-13-15)25-16-7-3-2-4-8-16/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,23,24)
InChIKeyLQHDBHXCYZMASP-UHFFFAOYSA-N
XLogP4.42
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 155096214) is 2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is Cc1[nH]c2c(c(=O)c1-c1ccc(Oc3ccccc3)nc1)CCCC2.
What is the InChIKey of 2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is LQHDBHXCYZMASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-20(21(24)17-9-5-6-10-18(17)23-14)15-11-12-19(22-13-15)25-16-7-3-2-4-8-16/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,23,24).
What are the key properties of 2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 332.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(6-phenoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 155096214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).