1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone

C28H29N5O — CID 67323962

IUPAC1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccc3ccccc3n2)CC1)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C28H29N5O/c34-28(33-13-11-21(12-14-33)24-19-29-26-8-4-2-6-23(24)26)20-31-15-17-32(18-16-31)27-10-9-22-5-1-3-7-25(22)30-27/h1-11,19,29H,12-18,20H2
InChIKeyKLDPLUPOKLXIFF-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.15
Rot. Bonds4

About 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone

1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone (PubChem CID 67323962) has the molecular formula C28H29N5O and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone
PubChem CID67323962
Molecular FormulaC28H29N5O
Molecular Weight451.57 g/mol
Exact Mass451.24
IUPAC Name1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccc3ccccc3n2)CC1)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C28H29N5O/c34-28(33-13-11-21(12-14-33)24-19-29-26-8-4-2-6-23(24)26)20-31-15-17-32(18-16-31)27-10-9-22-5-1-3-7-25(22)30-27/h1-11,19,29H,12-18,20H2
InChIKeyKLDPLUPOKLXIFF-UHFFFAOYSA-N
XLogP4.15
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 77263288
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
bis((Z)-but-2-enedioic acid);2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]quinoline
CID 12672138
2-[(2S,6R)-2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 67306108
2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 567081
1-(4-bromophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butane-1,4-dione
CID 46699859
bis((Z)-but-2-enedioic acid);2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]quinoline
CID 12672141
N-cyclopentyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
CID 20916507
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 167898000
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110931231
N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
CID 20916506

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone (CID 67323962) is 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ccc3ccccc3n2)CC1)N1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is KLDPLUPOKLXIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O/c34-28(33-13-11-21(12-14-33)24-19-29-26-8-4-2-6-23(24)26)20-31-15-17-32(18-16-31)27-10-9-22-5-1-3-7-25(22)30-27/h1-11,19,29H,12-18,20H2.
What are the key properties of 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 451.57 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 67323962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).