1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid

C19H20N2O3 — CID 119356858

IUPAC1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc2nc(C3CC3)cc(C(=O)N3CCCC3C(=O)O)c2c1
InChIInChI=1S/C19H20N2O3/c1-11-4-7-15-13(9-11)14(10-16(20-15)12-5-6-12)18(22)21-8-2-3-17(21)19(23)24/h4,7,9-10,12,17H,2-3,5-6,8H2,1H3,(H,23,24)
InChIKeyNUEHIFVTRSFJSR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.11
Rot. Bonds3

About 1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid

1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119356858) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119356858
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc2nc(C3CC3)cc(C(=O)N3CCCC3C(=O)O)c2c1
InChIInChI=1S/C19H20N2O3/c1-11-4-7-15-13(9-11)14(10-16(20-15)12-5-6-12)18(22)21-8-2-3-17(21)19(23)24/h4,7,9-10,12,17H,2-3,5-6,8H2,1H3,(H,23,24)
InChIKeyNUEHIFVTRSFJSR-UHFFFAOYSA-N
XLogP3.11
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120537401
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone
CID 124691673
2-[4-(2-cyclopropyl-6-methylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520610
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 71923022
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
(2S)-1-(2-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 110834780
(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 92756294
1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355904
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 62514425
(2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 140517997
[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
CID 119435832

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 119356858) is 1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid is Cc1ccc2nc(C3CC3)cc(C(=O)N3CCCC3C(=O)O)c2c1.
What is the InChIKey of 1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NUEHIFVTRSFJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-4-7-15-13(9-11)14(10-16(20-15)12-5-6-12)18(22)21-8-2-3-17(21)19(23)24/h4,7,9-10,12,17H,2-3,5-6,8H2,1H3,(H,23,24).
What are the key properties of 1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).