3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one

C18H21FN2O3 — CID 110610273

IUPAC3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
SMILESCCOCC1CCCN(C(=O)c2cc3ccc(F)cc3[nH]c2=O)C1
InChIInChI=1S/C18H21FN2O3/c1-2-24-11-12-4-3-7-21(10-12)18(23)15-8-13-5-6-14(19)9-16(13)20-17(15)22/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,20,22)
InChIKeyHUOMMHPYXOKXPN-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.56
Rot. Bonds4

About 3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one

3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one (PubChem CID 110610273) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
PubChem CID110610273
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
SMILESCCOCC1CCCN(C(=O)c2cc3ccc(F)cc3[nH]c2=O)C1
InChIInChI=1S/C18H21FN2O3/c1-2-24-11-12-4-3-7-21(10-12)18(23)15-8-13-5-6-14(19)9-16(13)20-17(15)22/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,20,22)
InChIKeyHUOMMHPYXOKXPN-UHFFFAOYSA-N
XLogP2.56
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 110614922
7-fluoro-3-(2-methylmorpholine-4-carbonyl)-1H-quinolin-2-one
CID 110631278
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70731720
N-(cyclopentylmethyl)-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110627525
(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 120633127
5-[(3S)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95867474
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one
CID 110418641
2-tert-butyl-5-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one
CID 136778283
(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 54985459

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one?
The IUPAC name of 3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one (CID 110610273) is 3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one is CCOCC1CCCN(C(=O)c2cc3ccc(F)cc3[nH]c2=O)C1.
What is the InChIKey of 3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one?
The InChIKey is HUOMMHPYXOKXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-2-24-11-12-4-3-7-21(10-12)18(23)15-8-13-5-6-14(19)9-16(13)20-17(15)22/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,20,22).
What are the key properties of 3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one?
3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one has a molecular weight of 332.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 110610273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).