N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide

C27H22N4OS2 — CID 2925607

IUPACN-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C27H22N4OS2/c32-27(31-13-12-19(17-31)18-6-2-1-3-7-18)28-20-10-11-21-22(16-20)30-26(24-9-5-15-34-24)25(29-21)23-8-4-14-33-23/h1-11,14-16,19H,12-13,17H2,(H,28,32)
InChIKeyALAOGZCWAGPSFY-UHFFFAOYSA-N
MW482.63 g/mol
LogP7.11
Rot. Bonds4

About N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide

N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide (PubChem CID 2925607) has the molecular formula C27H22N4OS2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
PubChem CID2925607
Molecular FormulaC27H22N4OS2
Molecular Weight482.63 g/mol
Exact Mass482.12
IUPAC NameN-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C27H22N4OS2/c32-27(31-13-12-19(17-31)18-6-2-1-3-7-18)28-20-10-11-21-22(16-20)30-26(24-9-5-15-34-24)25(29-21)23-8-4-14-33-23/h1-11,14-16,19H,12-13,17H2,(H,28,32)
InChIKeyALAOGZCWAGPSFY-UHFFFAOYSA-N
XLogP7.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 5013877
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
(3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-phenylpyrrolidine-1-carboxamide
CID 124593890
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide
CID 11258496
O-[4-[(2,3-diphenylquinoxalin-6-yl)carbamoyl]phenyl] (3S)-3-phenylpyrrolidine-1-carbothioate
CID 126338463
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide
CID 22340375
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
1-(1-adamantyl)-3-(2,3-dithiophen-2-ylquinoxalin-6-yl)urea
CID 138514843
N-(4-amino-2-propan-2-ylquinolin-6-yl)-4-phenylpiperidine-1-carboxamide
CID 10237485
N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide
CID 2924978

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide (CID 2925607) is N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide is O=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is ALAOGZCWAGPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4OS2/c32-27(31-13-12-19(17-31)18-6-2-1-3-7-18)28-20-10-11-21-22(16-20)30-26(24-9-5-15-34-24)25(29-21)23-8-4-14-33-23/h1-11,14-16,19H,12-13,17H2,(H,28,32).
What are the key properties of N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide?
N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 7.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 2925607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).