7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one

C16H17F3N2O2 — CID 95216039

IUPAC7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3CCC[C@@H]3C(F)(F)F)c(=O)[nH]c2c1
InChIInChI=1S/C16H17F3N2O2/c1-23-12-5-4-10-7-11(15(22)20-13(10)8-12)9-21-6-2-3-14(21)16(17,18)19/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyBZTWRWPABHNHGJ-CQSZACIVSA-N
MW326.32 g/mol
LogP3.06
Rot. Bonds3

About 7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one

7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 95216039) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID95216039
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3CCC[C@@H]3C(F)(F)F)c(=O)[nH]c2c1
InChIInChI=1S/C16H17F3N2O2/c1-23-12-5-4-10-7-11(15(22)20-13(10)8-12)9-21-6-2-3-14(21)16(17,18)19/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyBZTWRWPABHNHGJ-CQSZACIVSA-N
XLogP3.06
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97209780
7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95210664
7-methoxy-3-[[3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56708818
3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
CID 56702753
3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 110363209
3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 56719260
3-[[(2R)-2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 95228469
3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56721682
7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 56714788
7-methoxy-3-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 864655
(3S,4R)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70727175
3-[[(8-hydroxyspiro[3.4]octan-7-yl)methylamino]methyl]-7-methoxy-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
CID 167907646

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (CID 95216039) is 7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is COc1ccc2cc(CN3CCC[C@@H]3C(F)(F)F)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is BZTWRWPABHNHGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-23-12-5-4-10-7-11(15(22)20-13(10)8-12)9-21-6-2-3-14(21)16(17,18)19/h4-5,7-8,14H,2-3,6,9H2,1H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 326.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95216039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).