[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone

C27H29N5O — CID 57433155

IUPAC[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1c2ccccc2CCC1CN1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C27H29N5O/c33-27(24-7-4-13-28-24)32-21(11-10-20-5-1-2-8-25(20)32)19-30-15-17-31(18-16-30)26-9-3-6-23-22(26)12-14-29-23/h1-9,12-14,21,28-29H,10-11,15-19H2
InChIKeyGPFPQMPEUHXRRD-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.28
Rot. Bonds4

About [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone

[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 57433155) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID57433155
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1c2ccccc2CCC1CN1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C27H29N5O/c33-27(24-7-4-13-28-24)32-21(11-10-20-5-1-2-8-25(20)32)19-30-15-17-31(18-16-30)26-9-3-6-23-22(26)12-14-29-23/h1-9,12-14,21,28-29H,10-11,15-19H2
InChIKeyGPFPQMPEUHXRRD-UHFFFAOYSA-N
XLogP4.28
TPSA58.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 57433155) is [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1c2ccccc2CCC1CN1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is GPFPQMPEUHXRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c33-27(24-7-4-13-28-24)32-21(11-10-20-5-1-2-8-25(20)32)19-30-15-17-31(18-16-30)26-9-3-6-23-22(26)12-14-29-23/h1-9,12-14,21,28-29H,10-11,15-19H2.
What are the key properties of [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone?
[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 439.56 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 57433155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).