(4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C20H20FN3O3 — CID 96542496

IUPAC(4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CC[C@H](OCc3ccccn3)C2)c2ccc(F)cc2N1
InChIInChI=1S/C20H20FN3O3/c21-13-4-5-16-17(10-19(25)23-18(16)9-13)20(26)24-8-6-15(11-24)27-12-14-3-1-2-7-22-14/h1-5,7,9,15,17H,6,8,10-12H2,(H,23,25)/t15-,17+/m0/s1
InChIKeyHQFGHRHOZFLFHT-DOTOQJQBSA-N
MW369.40 g/mol
LogP2.46
Rot. Bonds4

About (4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

(4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 96542496) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is (4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID96542496
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name(4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CC[C@H](OCc3ccccn3)C2)c2ccc(F)cc2N1
InChIInChI=1S/C20H20FN3O3/c21-13-4-5-16-17(10-19(25)23-18(16)9-13)20(26)24-8-6-15(11-24)27-12-14-3-1-2-7-22-14/h1-5,7,9,15,17H,6,8,10-12H2,(H,23,25)/t15-,17+/m0/s1
InChIKeyHQFGHRHOZFLFHT-DOTOQJQBSA-N
XLogP2.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557
(4R)-4-[(6S)-4-benzyl-3-oxo-6-(pyridin-2-ylmethoxy)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 26140222
7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 119539545
(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 41310381
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 87011022
7-fluoro-4-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 111434115
(4R)-7-fluoro-4-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 136801291
(4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95582824
(4S)-4-[(3S)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95582825
4-(3-ethoxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 56819858
(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 32910381
(4S)-4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 51647202

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 96542496) is (4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@@H](C(=O)N2CC[C@H](OCc3ccccn3)C2)c2ccc(F)cc2N1.
What is the InChIKey of (4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HQFGHRHOZFLFHT-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-13-4-5-16-17(10-19(25)23-18(16)9-13)20(26)24-8-6-15(11-24)27-12-14-3-1-2-7-22-14/h1-5,7,9,15,17H,6,8,10-12H2,(H,23,25)/t15-,17+/m0/s1.
What are the key properties of (4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
(4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 369.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-4-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 96542496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).