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

C30H32N4O2 — CID 57433178

IUPAC[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2c3ccccc3CCC2CN2CCN(c3cccc4[nH]ccc34)CC2)c1
InChIInChI=1S/C30H32N4O2/c1-36-25-8-4-7-23(20-25)30(35)34-24(13-12-22-6-2-3-10-28(22)34)21-32-16-18-33(19-17-32)29-11-5-9-27-26(29)14-15-31-27/h2-11,14-15,20,24,31H,12-13,16-19,21H2,1H3
InChIKeyTWQYPKYIPIYLNI-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.96
Rot. Bonds5

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

[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 57433178) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID57433178
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC Name[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2c3ccccc3CCC2CN2CCN(c3cccc4[nH]ccc34)CC2)c1
InChIInChI=1S/C30H32N4O2/c1-36-25-8-4-7-23(20-25)30(35)34-24(13-12-22-6-2-3-10-28(22)34)21-32-16-18-33(19-17-32)29-11-5-9-27-26(29)14-15-31-27/h2-11,14-15,20,24,31H,12-13,16-19,21H2,1H3
InChIKeyTWQYPKYIPIYLNI-UHFFFAOYSA-N
XLogP4.96
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-2-(4-methoxyphenyl)acetaldehyde
CID 57452680
cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone
CID 10181887
1-[4-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]indol-1-yl]ethanone
CID 10228687
11-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-14-oxa-1-azatricyclo[8.6.0.02,7]hexadeca-2,4,6-triene-13,16-dione
CID 141065578
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
[5-chloro-2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 10208394
2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3-iodo-6-methoxy-1H-indole
CID 139991044
4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole
CID 10110269
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate
CID 113080742
2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone
CID 102132540
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3-methoxyphenyl)methanone
CID 110715186

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]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone (CID 57433178) is [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2c3ccccc3CCC2CN2CCN(c3cccc4[nH]ccc34)CC2)c1.
What is the InChIKey of [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is TWQYPKYIPIYLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-36-25-8-4-7-23(20-25)30(35)34-24(13-12-22-6-2-3-10-28(22)34)21-32-16-18-33(19-17-32)29-11-5-9-27-26(29)14-15-31-27/h2-11,14-15,20,24,31H,12-13,16-19,21H2,1H3.
What are the key properties of [2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone?
[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 480.61 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 57433178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).