1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione

C30H42N4O2 — CID 90674943

IUPAC1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione
SMILESCN(C)CCCN1C(=O)C(CCCCCCN2CCN(c3ccccc3)CC2)C(=O)c2ccccc21
InChIInChI=1S/C30H42N4O2/c1-31(2)18-12-20-34-28-17-10-9-15-26(28)29(35)27(30(34)36)16-8-3-4-11-19-32-21-23-33(24-22-32)25-13-6-5-7-14-25/h5-7,9-10,13-15,17,27H,3-4,8,11-12,16,18-24H2,1-2H3
InChIKeyITMLYQZWNQXMPI-UHFFFAOYSA-N
MW490.69 g/mol
LogP4.56
Rot. Bonds12

About 1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione

1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione (PubChem CID 90674943) has the molecular formula C30H42N4O2 and a molecular weight of 490.69 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione
PubChem CID90674943
Molecular FormulaC30H42N4O2
Molecular Weight490.69 g/mol
Exact Mass490.33
IUPAC Name1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione
SMILESCN(C)CCCN1C(=O)C(CCCCCCN2CCN(c3ccccc3)CC2)C(=O)c2ccccc21
InChIInChI=1S/C30H42N4O2/c1-31(2)18-12-20-34-28-17-10-9-15-26(28)29(35)27(30(34)36)16-8-3-4-11-19-32-21-23-33(24-22-32)25-13-6-5-7-14-25/h5-7,9-10,13-15,17,27H,3-4,8,11-12,16,18-24H2,1-2H3
InChIKeyITMLYQZWNQXMPI-UHFFFAOYSA-N
XLogP4.56
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.69
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione with MolForge

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]quinoline-2,4-dione;oxalic acid
CID 90675080
6-chloro-1-[3-(dimethylamino)propyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]quinoline-2,4-dione
CID 90675097
1-[3-(dimethylamino)propyl]-6-nitro-3-[3-(4-phenylpiperazin-1-yl)propyl]quinoline-2,4-dione
CID 90675099
1-[3-(dimethylamino)propyl]-6-nitro-3-[3-(4-phenylpiperazin-1-yl)propyl]quinoline-2,4-dione;hydrochloride
CID 90675098
(1S,2R,6S,7R)-4-[4-(4-phenylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 25266539
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2-[3-(4-phenylpiperazin-1-yl)propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10807257
11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one
CID 28424
3,3-diethyl-5-[4-(4-phenylpiperazin-1-yl)butyl]oxolan-2-one
CID 162368702
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 139945708
5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione
CID 86293406

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione (CID 90674943) is 1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione is CN(C)CCCN1C(=O)C(CCCCCCN2CCN(c3ccccc3)CC2)C(=O)c2ccccc21.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione?
The InChIKey is ITMLYQZWNQXMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O2/c1-31(2)18-12-20-34-28-17-10-9-15-26(28)29(35)27(30(34)36)16-8-3-4-11-19-32-21-23-33(24-22-32)25-13-6-5-7-14-25/h5-7,9-10,13-15,17,27H,3-4,8,11-12,16,18-24H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione?
1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione has a molecular weight of 490.69 g/mol, XLogP of 4.56, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-[6-(4-phenylpiperazin-1-yl)hexyl]quinoline-2,4-dione is sourced from PubChem (CID 90674943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).