N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide

C24H34N4O2 — CID 123492861

IUPACN-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
SMILESCc1ccccc1N1CCN(C(=O)CCNC(=O)N2CCCC3CCCC=C32)CC1
InChIInChI=1S/C24H34N4O2/c1-19-7-2-4-10-21(19)26-15-17-27(18-16-26)23(29)12-13-25-24(30)28-14-6-9-20-8-3-5-11-22(20)28/h2,4,7,10-11,20H,3,5-6,8-9,12-18H2,1H3,(H,25,30)
InChIKeyRXDXZIVWFQXMID-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.52
Rot. Bonds4

About N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide

N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide (PubChem CID 123492861) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
PubChem CID123492861
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
SMILESCc1ccccc1N1CCN(C(=O)CCNC(=O)N2CCCC3CCCC=C32)CC1
InChIInChI=1S/C24H34N4O2/c1-19-7-2-4-10-21(19)26-15-17-27(18-16-26)23(29)12-13-25-24(30)28-14-6-9-20-8-3-5-11-22(20)28/h2,4,7,10-11,20H,3,5-6,8-9,12-18H2,1H3,(H,25,30)
InChIKeyRXDXZIVWFQXMID-UHFFFAOYSA-N
XLogP3.52
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide with MolForge

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Related Compounds

4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 18129548
N-[3-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
CID 123719557
S-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl] 3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carbothioate
CID 123651140
3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62834057
(3S)-3-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094105
1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 121449078
N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
CID 123208252
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
3-(cycloheptylamino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 109029569
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 2511652
3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112803742
4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-ylsulfonyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 66794621

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide (CID 123492861) is N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide is Cc1ccccc1N1CCN(C(=O)CCNC(=O)N2CCCC3CCCC=C32)CC1.
What is the InChIKey of N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide?
The InChIKey is RXDXZIVWFQXMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-19-7-2-4-10-21(19)26-15-17-27(18-16-26)23(29)12-13-25-24(30)28-14-6-9-20-8-3-5-11-22(20)28/h2,4,7,10-11,20H,3,5-6,8-9,12-18H2,1H3,(H,25,30).
What are the key properties of N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide?
N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 123492861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).