1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone

C24H23F3N4O — CID 44534336

IUPAC1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCN(c2ccnc3cc4c(cc23)N(Cc2ccccc2)CC4)CC1)C(F)(F)F
InChIInChI=1S/C24H23F3N4O/c25-24(26,27)23(32)30-12-10-29(11-13-30)21-6-8-28-20-14-18-7-9-31(22(18)15-19(20)21)16-17-4-2-1-3-5-17/h1-6,8,14-15H,7,9-13,16H2
InChIKeyTVULQENGSXNYHG-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.01
Rot. Bonds3

About 1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone

1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 44534336) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is 1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
PubChem CID44534336
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC Name1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCN(c2ccnc3cc4c(cc23)N(Cc2ccccc2)CC4)CC1)C(F)(F)F
InChIInChI=1S/C24H23F3N4O/c25-24(26,27)23(32)30-12-10-29(11-13-30)21-6-8-28-20-14-18-7-9-31(22(18)15-19(20)21)16-17-4-2-1-3-5-17/h1-6,8,14-15H,7,9-13,16H2
InChIKeyTVULQENGSXNYHG-UHFFFAOYSA-N
XLogP4.01
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone (CID 44534336) is 1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone is O=C(N1CCN(c2ccnc3cc4c(cc23)N(Cc2ccccc2)CC4)CC1)C(F)(F)F.
What is the InChIKey of 1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is TVULQENGSXNYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O/c25-24(26,27)23(32)30-12-10-29(11-13-30)21-6-8-28-20-14-18-7-9-31(22(18)15-19(20)21)16-17-4-2-1-3-5-17/h1-6,8,14-15H,7,9-13,16H2.
What are the key properties of 1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 440.47 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzyl-2,3-dihydropyrrolo[2,3-g]quinolin-8-yl)piperazin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 44534336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).