6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one

C22H28N2O2 — CID 126587510

IUPAC6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC1=CC(c2cc3c(c(CC4CCOCC4)c2)NC(=O)CC3)=CN(C)C1
InChIInChI=1S/C22H28N2O2/c1-15-9-20(14-24(2)13-15)18-11-17-3-4-21(25)23-22(17)19(12-18)10-16-5-7-26-8-6-16/h9,11-12,14,16H,3-8,10,13H2,1-2H3,(H,23,25)
InChIKeyMHZKLQKOENXRQG-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.77
Rot. Bonds3

About 6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one

6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126587510) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID126587510
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC1=CC(c2cc3c(c(CC4CCOCC4)c2)NC(=O)CC3)=CN(C)C1
InChIInChI=1S/C22H28N2O2/c1-15-9-20(14-24(2)13-15)18-11-17-3-4-21(25)23-22(17)19(12-18)10-16-5-7-26-8-6-16/h9,11-12,14,16H,3-8,10,13H2,1-2H3,(H,23,25)
InChIKeyMHZKLQKOENXRQG-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587658
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 147626110
3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide
CID 166091380
8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174151
7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 163249662
6-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 126587528
7,8-difluoro-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 166091425
8-cyclohexyloxy-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587449
8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117402589
8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587591
4,4-dimethyl-2-(oxan-4-ylmethyl)-7-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoquinoline
CID 162731151
6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 10911993

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (CID 126587510) is 6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is CC1=CC(c2cc3c(c(CC4CCOCC4)c2)NC(=O)CC3)=CN(C)C1.
What is the InChIKey of 6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MHZKLQKOENXRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-9-20(14-24(2)13-15)18-11-17-3-4-21(25)23-22(17)19(12-18)10-16-5-7-26-8-6-16/h9,11-12,14,16H,3-8,10,13H2,1-2H3,(H,23,25).
What are the key properties of 6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 352.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126587510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).