5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid

C22H23N3O3 — CID 169412322

IUPAC5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
SMILESCc1ccc2cc(CN3CCC(Cc4cncc(C(=O)O)c4)C3)c(=O)[nH]c2c1
InChIInChI=1S/C22H23N3O3/c1-14-2-3-17-9-19(21(26)24-20(17)6-14)13-25-5-4-15(12-25)7-16-8-18(22(27)28)11-23-10-16/h2-3,6,8-11,15H,4-5,7,12-13H2,1H3,(H,24,26)(H,27,28)
InChIKeyQYHGSXVXKAQPIW-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.99
Rot. Bonds5

About 5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid

5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 169412322) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
PubChem CID169412322
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
SMILESCc1ccc2cc(CN3CCC(Cc4cncc(C(=O)O)c4)C3)c(=O)[nH]c2c1
InChIInChI=1S/C22H23N3O3/c1-14-2-3-17-9-19(21(26)24-20(17)6-14)13-25-5-4-15(12-25)7-16-8-18(22(27)28)11-23-10-16/h2-3,6,8-11,15H,4-5,7,12-13H2,1H3,(H,24,26)(H,27,28)
InChIKeyQYHGSXVXKAQPIW-UHFFFAOYSA-N
XLogP2.99
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid (CID 169412322) is 5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid is Cc1ccc2cc(CN3CCC(Cc4cncc(C(=O)O)c4)C3)c(=O)[nH]c2c1.
What is the InChIKey of 5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is QYHGSXVXKAQPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-2-3-17-9-19(21(26)24-20(17)6-14)13-25-5-4-15(12-25)7-16-8-18(22(27)28)11-23-10-16/h2-3,6,8-11,15H,4-5,7,12-13H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid?
5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 169412322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).