3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid

C24H18FN3O3 — CID 69448160

IUPAC3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid
SMILESO=C(O)c1c(C(=O)N2CCn3cccc3C2)c(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C24H18FN3O3/c25-16-8-9-19-18(13-16)20(24(30)31)21(22(26-19)15-5-2-1-3-6-15)23(29)28-12-11-27-10-4-7-17(27)14-28/h1-10,13H,11-12,14H2,(H,30,31)
InChIKeyGHULWVBSNPNPQV-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.20
Rot. Bonds3

About 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid

3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid (PubChem CID 69448160) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid
PubChem CID69448160
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Name3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid
SMILESO=C(O)c1c(C(=O)N2CCn3cccc3C2)c(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C24H18FN3O3/c25-16-8-9-19-18(13-16)20(24(30)31)21(22(26-19)15-5-2-1-3-6-15)23(29)28-12-11-27-10-4-7-17(27)14-28/h1-10,13H,11-12,14H2,(H,30,31)
InChIKeyGHULWVBSNPNPQV-UHFFFAOYSA-N
XLogP4.20
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid?
The IUPAC name of 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid (CID 69448160) is 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid is O=C(O)c1c(C(=O)N2CCn3cccc3C2)c(-c2ccccc2)nc2ccc(F)cc12.
What is the InChIKey of 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid?
The InChIKey is GHULWVBSNPNPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c25-16-8-9-19-18(13-16)20(24(30)31)21(22(26-19)15-5-2-1-3-6-15)23(29)28-12-11-27-10-4-7-17(27)14-28/h1-10,13H,11-12,14H2,(H,30,31).
What are the key properties of 3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid?
3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-fluoro-2-phenylquinoline-4-carboxylic acid has a molecular weight of 415.42 g/mol, XLogP of 4.20, 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)-6-fluoro-2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 69448160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).