1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione

C30H30N4O2 — CID 86049503

IUPAC1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCN(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1
InChIInChI=1S/C30H30N4O2/c35-29-17-18-30(36)34(29)20-8-2-1-7-19-33(21-25-15-13-23-9-3-5-11-27(23)31-25)22-26-16-14-24-10-4-6-12-28(24)32-26/h3-6,9-18H,1-2,7-8,19-22H2
InChIKeyIPPUZHCIYNUIBA-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.27
Rot. Bonds11

About 1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione

1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione (PubChem CID 86049503) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione
PubChem CID86049503
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCN(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1
InChIInChI=1S/C30H30N4O2/c35-29-17-18-30(36)34(29)20-8-2-1-7-19-33(21-25-15-13-23-9-3-5-11-27(23)31-25)22-26-16-14-24-10-4-6-12-28(24)32-26/h3-6,9-18H,1-2,7-8,19-22H2
InChIKeyIPPUZHCIYNUIBA-UHFFFAOYSA-N
XLogP5.27
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
CID 86023570
N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
CID 139172571
1-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]pyrrole-2,5-dione
CID 86089500
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
CID 134338360
1,3-bis[bis(quinolin-2-ylmethyl)amino]propan-2-ol
CID 86080053
cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate
CID 139160361
N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide
CID 57029927
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
2-[prop-2-enyl(quinolin-2-ylmethyl)amino]acetic acid
CID 79277558
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195

Frequently Asked Questions

What is the IUPAC name of 1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione (CID 86049503) is 1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCCN(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1.
What is the InChIKey of 1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione?
The InChIKey is IPPUZHCIYNUIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c35-29-17-18-30(36)34(29)20-8-2-1-7-19-33(21-25-15-13-23-9-3-5-11-27(23)31-25)22-26-16-14-24-10-4-6-12-28(24)32-26/h3-6,9-18H,1-2,7-8,19-22H2.
What are the key properties of 1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione?
1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione has a molecular weight of 478.60 g/mol, XLogP of 5.27, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[bis(quinolin-2-ylmethyl)amino]hexyl]pyrrole-2,5-dione is sourced from PubChem (CID 86049503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).