6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one

C21H23N3O3 — CID 146605391

IUPAC6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(=O)N1CC[C@@H](Oc2cncc(-c3ccc4c(c3)CCC(=O)N4)c2)C1
InChIInChI=1S/C21H23N3O3/c1-2-21(26)24-8-7-17(13-24)27-18-10-16(11-22-12-18)14-3-5-19-15(9-14)4-6-20(25)23-19/h3,5,9-12,17H,2,4,6-8,13H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyGHDVSVSKWDBZLO-QGZVFWFLSA-N
MW365.43 g/mol
LogP3.02
Rot. Bonds4

About 6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one

6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 146605391) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID146605391
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(=O)N1CC[C@@H](Oc2cncc(-c3ccc4c(c3)CCC(=O)N4)c2)C1
InChIInChI=1S/C21H23N3O3/c1-2-21(26)24-8-7-17(13-24)27-18-10-16(11-22-12-18)14-3-5-19-15(9-14)4-6-20(25)23-19/h3,5,9-12,17H,2,4,6-8,13H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyGHDVSVSKWDBZLO-QGZVFWFLSA-N
XLogP3.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 123143673
N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 146216608
1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216653
6-[4-(3-methylpiperidin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 134005090
1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]pyrrolidine-3-carboxylic acid
CID 119355075
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 123840256
6-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 119485054
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 94014711
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203
6-[4-[4-(ethylaminomethyl)piperidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 119646080
6-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
CID 167974950

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one (CID 146605391) is 6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one is CCC(=O)N1CC[C@@H](Oc2cncc(-c3ccc4c(c3)CCC(=O)N4)c2)C1.
What is the InChIKey of 6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GHDVSVSKWDBZLO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-21(26)24-8-7-17(13-24)27-18-10-16(11-22-12-18)14-3-5-19-15(9-14)4-6-20(25)23-19/h3,5,9-12,17H,2,4,6-8,13H2,1H3,(H,23,25)/t17-/m1/s1.
What are the key properties of 6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one?
6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 365.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 146605391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).