3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid

C24H19N3O3 — CID 69448154

IUPAC3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid
SMILESO=C(O)c1c(C(=O)N2CCn3cccc3C2)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H19N3O3/c28-23(27-14-13-26-12-6-9-17(26)15-27)21-20(24(29)30)18-10-4-5-11-19(18)25-22(21)16-7-2-1-3-8-16/h1-12H,13-15H2,(H,29,30)
InChIKeyJKBLZTOZBLWGOI-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.06
Rot. Bonds3

About 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid

3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid (PubChem CID 69448154) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid
PubChem CID69448154
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid
SMILESO=C(O)c1c(C(=O)N2CCn3cccc3C2)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H19N3O3/c28-23(27-14-13-26-12-6-9-17(26)15-27)21-20(24(29)30)18-10-4-5-11-19(18)25-22(21)16-7-2-1-3-8-16/h1-12H,13-15H2,(H,29,30)
InChIKeyJKBLZTOZBLWGOI-UHFFFAOYSA-N
XLogP4.06
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid
CID 69448160
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
3-amino-2-phenylquinoline-4-carboxamide
CID 140977990
2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 100655590
3-(dimethylamino)-2-phenylquinoline-4-carboxylic acid
CID 16643681
2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid
CID 23497641
3-(methylsulfonylmethyl)-2-phenylquinoline-4-carboxylic acid
CID 59799728
2-phenyl-3-[(4-sulfamoylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid
CID 23497681
(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
CID 1023261
ethane;3-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid
CID 90730563

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid?
The IUPAC name of 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid (CID 69448154) is 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid is O=C(O)c1c(C(=O)N2CCn3cccc3C2)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid?
The InChIKey is JKBLZTOZBLWGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-23(27-14-13-26-12-6-9-17(26)15-27)21-20(24(29)30)18-10-4-5-11-19(18)25-22(21)16-7-2-1-3-8-16/h1-12H,13-15H2,(H,29,30).
What are the key properties of 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid?
3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid has a molecular weight of 397.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 69448154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).