(4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C17H22N2O3 — CID 95582824

IUPAC(4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCO[C@@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C1
InChIInChI=1S/C17H22N2O3/c1-2-22-12-6-5-9-19(11-12)17(21)14-10-16(20)18-15-8-4-3-7-13(14)15/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyONRXHHSEWFANEZ-OCCSQVGLSA-N
MW302.37 g/mol
LogP2.14
Rot. Bonds3

About (4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

(4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95582824) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID95582824
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCO[C@@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C1
InChIInChI=1S/C17H22N2O3/c1-2-22-12-6-5-9-19(11-12)17(21)14-10-16(20)18-15-8-4-3-7-13(14)15/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3,(H,18,20)/t12-,14+/m1/s1
InChIKeyONRXHHSEWFANEZ-OCCSQVGLSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

(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
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 111561306
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119541751
4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78835890
N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide
CID 55507256
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 56816786
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 119664135
4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 71880314
N-(2-aminoethyl)-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119481836
1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119135688
4-(2,6-dimethylmorpholine-4-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 42933274

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 95582824) is (4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is CCO[C@@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C1.
What is the InChIKey of (4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ONRXHHSEWFANEZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-22-12-6-5-9-19(11-12)17(21)14-10-16(20)18-15-8-4-3-7-13(14)15/h3-4,7-8,12,14H,2,5-6,9-11H2,1H3,(H,18,20)/t12-,14+/m1/s1.
What are the key properties of (4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3R)-3-ethoxypiperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95582824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).