1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione

C29H36N2O2 — CID 110560027

IUPAC1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione
SMILESCCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C29H36N2O2/c1-2-3-4-5-6-7-8-14-21-31-28(32)26(24-17-10-9-11-18-24)27(29(31)33)30-22-15-19-23-16-12-13-20-25(23)30/h9-13,16-18,20H,2-8,14-15,19,21-22H2,1H3
InChIKeyPGOFOIYWCIHGNV-UHFFFAOYSA-N
MW444.62 g/mol
LogP6.36
Rot. Bonds11

About 1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione

1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione (PubChem CID 110560027) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione
PubChem CID110560027
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC Name1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione
SMILESCCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C29H36N2O2/c1-2-3-4-5-6-7-8-14-21-31-28(32)26(24-17-10-9-11-18-24)27(29(31)33)30-22-15-19-23-16-12-13-20-25(23)30/h9-13,16-18,20H,2-8,14-15,19,21-22H2,1H3
InChIKeyPGOFOIYWCIHGNV-UHFFFAOYSA-N
XLogP6.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione
CID 110559989
N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562563
1-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546556
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559397
3-(3,4-dihydro-2H-quinolin-1-yl)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566334
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2,4-dimethylphenyl)-1-hexylpyrrole-2,5-dione
CID 110578990
N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562565
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110548869
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-nitrophenyl)-1-propylpyrrole-2,5-dione
CID 110541325
3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543774
1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573052
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-pentyl-4-phenylpyrrole-2,5-dione
CID 110559298

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione (CID 110560027) is 1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione is CCCCCCCCCCN1C(=O)C(c2ccccc2)=C(N2CCCc3ccccc32)C1=O.
What is the InChIKey of 1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione?
The InChIKey is PGOFOIYWCIHGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-2-3-4-5-6-7-8-14-21-31-28(32)26(24-17-10-9-11-18-24)27(29(31)33)30-22-15-19-23-16-12-13-20-25(23)30/h9-13,16-18,20H,2-8,14-15,19,21-22H2,1H3.
What are the key properties of 1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione?
1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione has a molecular weight of 444.62 g/mol, XLogP of 6.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110560027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).