3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one

C22H24FN3O3 — CID 123143673

IUPAC3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCCC(=O)N1CC[C@@H](Oc2cncc(-c3ccc4c(c3)CC(F)C(=O)N4C)c2)C1
InChIInChI=1S/C22H24FN3O3/c1-3-21(27)26-7-6-17(13-26)29-18-9-16(11-24-12-18)14-4-5-20-15(8-14)10-19(23)22(28)25(20)2/h4-5,8-9,11-12,17,19H,3,6-7,10,13H2,1-2H3/t17-,19?/m1/s1
InChIKeyGRWICQDXLBSDIN-DUSLRRAJSA-N
MW397.45 g/mol
LogP3.00
Rot. Bonds4

About 3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one

3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 123143673) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID123143673
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCCC(=O)N1CC[C@@H](Oc2cncc(-c3ccc4c(c3)CC(F)C(=O)N4C)c2)C1
InChIInChI=1S/C22H24FN3O3/c1-3-21(27)26-7-6-17(13-26)29-18-9-16(11-24-12-18)14-4-5-20-15(8-14)10-19(23)22(28)25(20)2/h4-5,8-9,11-12,17,19H,3,6-7,10,13H2,1-2H3/t17-,19?/m1/s1
InChIKeyGRWICQDXLBSDIN-DUSLRRAJSA-N
XLogP3.00
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
CID 146605391
1-methyl-6-(5-piperidin-4-yloxy-3-pyridinyl)-3,4-dihydroquinolin-2-one
CID 89440578
1-methyl-8-[5-[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216653
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
1-[4-(3-phenoxypyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 118782186
1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 126441920
1-[(3S)-3-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]oxypyrrolidin-1-yl]propan-1-one
CID 134148445
tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 140872433
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
1-[4-[4-(6-methylquinolin-3-yl)phenoxy]piperidin-1-yl]propan-1-one;hydrochloride
CID 156702349
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478
1-[3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 66883252

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 123143673) is 3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one is CCC(=O)N1CC[C@@H](Oc2cncc(-c3ccc4c(c3)CC(F)C(=O)N4C)c2)C1.
What is the InChIKey of 3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is GRWICQDXLBSDIN-DUSLRRAJSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-3-21(27)26-7-6-17(13-26)29-18-9-16(11-24-12-18)14-4-5-20-15(8-14)10-19(23)22(28)25(20)2/h4-5,8-9,11-12,17,19H,3,6-7,10,13H2,1-2H3/t17-,19?/m1/s1.
What are the key properties of 3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one?
3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 397.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-6-[5-[(3R)-1-propanoylpyrrolidin-3-yl]oxy-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 123143673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).