cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone

C30H36N4O — CID 10140004

IUPACcyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1c2ccccc2CCC1CN1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C30H36N4O/c35-30(25-9-2-1-3-10-25)34-26(16-15-23-8-4-5-13-27(23)34)22-32-18-20-33(21-19-32)28-14-6-11-24-12-7-17-31-29(24)28/h4-8,11-14,17,25-26H,1-3,9-10,15-16,18-22H2
InChIKeyCMSFPWSFDFEBSE-UHFFFAOYSA-N
MW468.65 g/mol
LogP5.29
Rot. Bonds4

About cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone

cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 10140004) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID10140004
Molecular FormulaC30H36N4O
Molecular Weight468.65 g/mol
Exact Mass468.29
IUPAC Namecyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1c2ccccc2CCC1CN1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C30H36N4O/c35-30(25-9-2-1-3-10-25)34-26(16-15-23-8-4-5-13-27(23)34)22-32-18-20-33(21-19-32)28-14-6-11-24-12-7-17-31-29(24)28/h4-8,11-14,17,25-26H,1-3,9-10,15-16,18-22H2
InChIKeyCMSFPWSFDFEBSE-UHFFFAOYSA-N
XLogP5.29
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

cyclohexyl-[2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 57433144
1-[4-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]indol-1-yl]ethanone
CID 10228687
[2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone
CID 57433210
cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone
CID 10181887
[2-[[2-(4-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone
CID 57433192
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 91601495
[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 57433155
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338
[2-(chloromethyl)azepan-1-yl]-quinolin-8-ylmethanone
CID 116639082

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 10140004) is cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(C1CCCCC1)N1c2ccccc2CCC1CN1CCN(c2cccc3cccnc23)CC1.
What is the InChIKey of cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is CMSFPWSFDFEBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O/c35-30(25-9-2-1-3-10-25)34-26(16-15-23-8-4-5-13-27(23)34)22-32-18-20-33(21-19-32)28-14-6-11-24-12-7-17-31-29(24)28/h4-8,11-14,17,25-26H,1-3,9-10,15-16,18-22H2.
What are the key properties of cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 468.65 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 10140004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).