(2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide

C18H23N3O4 — CID 94011876

IUPAC(2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN1C(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H23N3O4/c1-20(2)18(24)15-4-3-9-21(15)17(23)11-25-13-6-7-14-12(10-13)5-8-16(22)19-14/h6-7,10,15H,3-5,8-9,11H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyZFOUXQNZIXCERV-OAHLLOKOSA-N
MW345.40 g/mol
LogP1.03
Rot. Bonds4

About (2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide

(2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide (PubChem CID 94011876) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide
PubChem CID94011876
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN1C(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H23N3O4/c1-20(2)18(24)15-4-3-9-21(15)17(23)11-25-13-6-7-14-12(10-13)5-8-16(22)19-14/h6-7,10,15H,3-5,8-9,11H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyZFOUXQNZIXCERV-OAHLLOKOSA-N
XLogP1.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24652382
1-[2-(4-methoxyphenoxy)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134033114
N-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 32919288
6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 119632574
6-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 51128978
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 94014711
6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119632573
7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 172880259
6-[4-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119650186
6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 167855339
6-[4-(3-methylpiperidin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 134005090
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide (CID 94011876) is (2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide is CN(C)C(=O)[C@H]1CCCN1C(=O)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of (2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is ZFOUXQNZIXCERV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-20(2)18(24)15-4-3-9-21(15)17(23)11-25-13-6-7-14-12(10-13)5-8-16(22)19-14/h6-7,10,15H,3-5,8-9,11H2,1-2H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide?
(2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94011876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).