N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide

C23H31ClN4O3 — CID 110209687

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CCC1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NCC1CCCN2CCCCC12
InChIInChI=1S/C23H31ClN4O3/c24-18-7-3-5-16(13-18)15-28-22(30)19(26-23(28)31)9-10-21(29)25-14-17-6-4-12-27-11-2-1-8-20(17)27/h3,5,7,13,17,19-20H,1-2,4,6,8-12,14-15H2,(H,25,29)(H,26,31)
InChIKeyMMQQPBNERVFTQM-UHFFFAOYSA-N
MW446.98 g/mol
LogP2.92
Rot. Bonds7

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 110209687) has the molecular formula C23H31ClN4O3 and a molecular weight of 446.98 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID110209687
Molecular FormulaC23H31ClN4O3
Molecular Weight446.98 g/mol
Exact Mass446.21
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CCC1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NCC1CCCN2CCCCC12
InChIInChI=1S/C23H31ClN4O3/c24-18-7-3-5-16(13-18)15-28-22(30)19(26-23(28)31)9-10-21(29)25-14-17-6-4-12-27-11-2-1-8-20(17)27/h3,5,7,13,17,19-20H,1-2,4,6,8-12,14-15H2,(H,25,29)(H,26,31)
InChIKeyMMQQPBNERVFTQM-UHFFFAOYSA-N
XLogP2.92
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.98
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide with MolForge

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Related Compounds

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 163088959
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124864135
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 91638354
3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 125284795
3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(3-chlorophenyl)methyl]propanamide
CID 73257738
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
CID 122714885
(3S)-N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 100899532
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 110208046
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 122169799
3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 91639452
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-chloroindol-1-yl)propanamide
CID 163053407
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 123132618

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 110209687) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide is O=C(CCC1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NCC1CCCN2CCCCC12.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is MMQQPBNERVFTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O3/c24-18-7-3-5-16(13-18)15-28-22(30)19(26-23(28)31)9-10-21(29)25-14-17-6-4-12-27-11-2-1-8-20(17)27/h3,5,7,13,17,19-20H,1-2,4,6,8-12,14-15H2,(H,25,29)(H,26,31).
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 446.98 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 110209687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).