1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

C25H26N4O4 — CID 55799094

IUPAC1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C1CN(C(=O)c2ccc(NC(=O)C3CC(=O)N(C4CCCC4)C3)cc2)c2ccccc2N1
InChIInChI=1S/C25H26N4O4/c30-22-15-29(21-8-4-3-7-20(21)27-22)25(33)16-9-11-18(12-10-16)26-24(32)17-13-23(31)28(14-17)19-5-1-2-6-19/h3-4,7-12,17,19H,1-2,5-6,13-15H2,(H,26,32)(H,27,30)
InChIKeyZTZYRHXDFKXEAX-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.02
Rot. Bonds4

About 1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55799094) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55799094
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C1CN(C(=O)c2ccc(NC(=O)C3CC(=O)N(C4CCCC4)C3)cc2)c2ccccc2N1
InChIInChI=1S/C25H26N4O4/c30-22-15-29(21-8-4-3-7-20(21)27-22)25(33)16-9-11-18(12-10-16)26-24(32)17-13-23(31)28(14-17)19-5-1-2-6-19/h3-4,7-12,17,19H,1-2,5-6,13-15H2,(H,26,32)(H,27,30)
InChIKeyZTZYRHXDFKXEAX-UHFFFAOYSA-N
XLogP3.02
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55799128
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
methyl 4-[[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40636618
1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 55799096
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113185562
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751105
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (CID 55799094) is 1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is O=C1CN(C(=O)c2ccc(NC(=O)C3CC(=O)N(C4CCCC4)C3)cc2)c2ccccc2N1.
What is the InChIKey of 1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ZTZYRHXDFKXEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-22-15-29(21-8-4-3-7-20(21)27-22)25(33)16-9-11-18(12-10-16)26-24(32)17-13-23(31)28(14-17)19-5-1-2-6-19/h3-4,7-12,17,19H,1-2,5-6,13-15H2,(H,26,32)(H,27,30).
What are the key properties of 1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55799094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).