3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C16H19N3O4 — CID 122095095

IUPAC3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccc3c(n2)CCCC3=O)C1
InChIInChI=1S/C16H19N3O4/c1-16(14(21)22)7-8-19(9-16)15(23)18-13-6-5-10-11(17-13)3-2-4-12(10)20/h5-6H,2-4,7-9H2,1H3,(H,21,22)(H,17,18,23)
InChIKeyYZSVCTFOKPZNGY-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.93
Rot. Bonds2

About 3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122095095) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122095095
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccc3c(n2)CCCC3=O)C1
InChIInChI=1S/C16H19N3O4/c1-16(14(21)22)7-8-19(9-16)15(23)18-13-6-5-10-11(17-13)3-2-4-12(10)20/h5-6H,2-4,7-9H2,1H3,(H,21,22)(H,17,18,23)
InChIKeyYZSVCTFOKPZNGY-UHFFFAOYSA-N
XLogP1.93
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,6aR)-2-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122095092
1-[(6-cyclopropyl-2-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122094283
3-methyl-1-[(2-piperidin-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122073838
3-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091036
1-[[3,4-bis(methoxycarbonyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085936
3-methyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079385
1-[(3-bromo-4-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088443
3-methyl-1-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074906
3-methyl-1-[(4-pyrazol-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075319
1-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122075810
3-methyl-1-[(2-methylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 107642319
1-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093933

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122095095) is 3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2ccc3c(n2)CCCC3=O)C1.
What is the InChIKey of 3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YZSVCTFOKPZNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-16(14(21)22)7-8-19(9-16)15(23)18-13-6-5-10-11(17-13)3-2-4-12(10)20/h5-6H,2-4,7-9H2,1H3,(H,21,22)(H,17,18,23).
What are the key properties of 3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-oxo-7,8-dihydro-6H-quinolin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122095095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).