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

C22H21N3O2 — CID 146807908

IUPAC7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2ccc3c(c2Cc2ccccn2)NC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C22H21N3O2/c1-14-11-16(13-25(2)22(14)27)18-8-6-15-7-9-20(26)24-21(15)19(18)12-17-5-3-4-10-23-17/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,24,26)
InChIKeyRZMCTGFVJAFASN-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.23
Rot. Bonds3

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

7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 146807908) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID146807908
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2ccc3c(c2Cc2ccccn2)NC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C22H21N3O2/c1-14-11-16(13-25(2)22(14)27)18-8-6-15-7-9-20(26)24-21(15)19(18)12-17-5-3-4-10-23-17/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,24,26)
InChIKeyRZMCTGFVJAFASN-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(oxan-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 147626110
6-benzyl-7-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587514
2-[[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]methyl]benzonitrile
CID 126572411
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
8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587591
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-1-(1-pyridin-2-ylethyl)-3,4-dihydroquinolin-2-one
CID 147442836
1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070485
8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587658
8-cyclohexyloxy-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587449
1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-2-ylmethyl)indol-2-yl]pyridin-2-one
CID 126608836
6-chloro-5-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-one;1,3-dimethyl-5-[6-oxo-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 159983087
5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
CID 152809643

Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (CID 146807908) is 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is Cc1cc(-c2ccc3c(c2Cc2ccccn2)NC(=O)CC3)cn(C)c1=O.
What is the InChIKey of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RZMCTGFVJAFASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-11-16(13-25(2)22(14)27)18-8-6-15-7-9-20(26)24-21(15)19(18)12-17-5-3-4-10-23-17/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,24,26).
What are the key properties of 7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.23, 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-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 146807908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).