7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one

C22H26N2O3 — CID 147626110

IUPAC7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2ccc3c(c2CC2CCOCC2)NC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C22H26N2O3/c1-14-11-17(13-24(2)22(14)26)18-5-3-16-4-6-20(25)23-21(16)19(18)12-15-7-9-27-10-8-15/h3,5,11,13,15H,4,6-10,12H2,1-2H3,(H,23,25)
InChIKeyGEUPNHUXUXDXDB-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.21
Rot. Bonds3

About 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one

7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 147626110) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID147626110
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2ccc3c(c2CC2CCOCC2)NC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C22H26N2O3/c1-14-11-17(13-24(2)22(14)26)18-5-3-16-4-6-20(25)23-21(16)19(18)12-15-7-9-27-10-8-15/h3,5,11,13,15H,4,6-10,12H2,1-2H3,(H,23,25)
InChIKeyGEUPNHUXUXDXDB-UHFFFAOYSA-N
XLogP3.21
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-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

7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 146807908
8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587658
8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587591
8-cyclohexyloxy-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587449
6-(1,3-dimethyl-2H-pyridin-5-yl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587510
2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile
CID 126572411
5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
CID 152809643
6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587514
6-bromo-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
CID 161223377
3-[5-[2-[1-[[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]azetidin-3-yl]ethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166593138
3-[5-[4-[4-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 164844208
3-[5-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(methylamino)-3-(oxan-4-ylmethoxy)phenyl]propanal
CID 126587682

Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (CID 147626110) is 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is Cc1cc(-c2ccc3c(c2CC2CCOCC2)NC(=O)CC3)cn(C)c1=O.
What is the InChIKey of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GEUPNHUXUXDXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14-11-17(13-24(2)22(14)26)18-5-3-16-4-6-20(25)23-21(16)19(18)12-15-7-9-27-10-8-15/h3,5,11,13,15H,4,6-10,12H2,1-2H3,(H,23,25).
What are the key properties of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 366.46 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 147626110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).