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

C30H33N5O — CID 77263288

IUPAC2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC1CN(c2ccc3ccccc3n2)CC(C)N1CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C30H33N5O/c1-21-18-34(29-12-11-24-7-3-5-9-27(24)32-29)19-22(2)35(21)20-30(36)33-15-13-23(14-16-33)26-17-31-28-10-6-4-8-25(26)28/h3-13,17,21-22,31H,14-16,18-20H2,1-2H3
InChIKeyKNQGTVRUKIRGQA-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.93
Rot. Bonds4

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

2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 77263288) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID77263288
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC Name2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC1CN(c2ccc3ccccc3n2)CC(C)N1CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C30H33N5O/c1-21-18-34(29-12-11-24-7-3-5-9-27(24)32-29)19-22(2)35(21)20-30(36)33-15-13-23(14-16-33)26-17-31-28-10-6-4-8-25(26)28/h3-13,17,21-22,31H,14-16,18-20H2,1-2H3
InChIKeyKNQGTVRUKIRGQA-UHFFFAOYSA-N
XLogP4.93
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 67323962
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
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086670
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-(4-bromophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butane-1,4-dione
CID 46699859
N-cycloheptyl-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
CID 20916506
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71705869
4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
CID 20916512
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110931231
2-[(3R,5S)-4-[2-[4-(1-benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]pyrimidine-5-carbaldehyde
CID 173470705
N-[(3,4-dimethoxyphenyl)methyl]-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxobutanamide
CID 46277472

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 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) is 2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC1CN(c2ccc3ccccc3n2)CC(C)N1CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is KNQGTVRUKIRGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O/c1-21-18-34(29-12-11-24-7-3-5-9-27(24)32-29)19-22(2)35(21)20-30(36)33-15-13-23(14-16-33)26-17-31-28-10-6-4-8-25(26)28/h3-13,17,21-22,31H,14-16,18-20H2,1-2H3.
What are the key properties of 2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 479.63 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-quinolin-2-ylpiperazin-1-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 77263288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).