3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide

C24H19N3O2S — CID 56636360

IUPAC3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1
InChIInChI=1S/C24H19N3O2S/c1-16-12-14-30-22(16)23(28)25-18-10-8-17(9-11-18)24(29)27-15-19-5-4-13-26(19)20-6-2-3-7-21(20)27/h2-14H,15H2,1H3,(H,25,28)
InChIKeyPCQZNSRBARAQQS-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.26
Rot. Bonds3

About 3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide

3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 56636360) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID56636360
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1
InChIInChI=1S/C24H19N3O2S/c1-16-12-14-30-22(16)23(28)25-18-10-8-17(9-11-18)24(29)27-15-19-5-4-13-26(19)20-6-2-3-7-21(20)27/h2-14H,15H2,1H3,(H,25,28)
InChIKeyPCQZNSRBARAQQS-UHFFFAOYSA-N
XLogP5.26
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
CID 15340667
N-[4-(4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine-6-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
CID 57217133
phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone
CID 140991005
3-chloro-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]thiophene-2-carboxamide
CID 70344713
N-[4-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
CID 15308000
3-methyl-N-[4-(6-thia-1,8-diazatricyclo[8.3.0.03,7]trideca-3(7),4,10,12-tetraene-8-carbonyl)phenyl]furan-2-carboxamide
CID 70344377
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
2,5-dichloro-N-[4-(6,7-dihydropyrrolo[1,2-a][1,5]benzodiazepine-5-carbonyl)phenyl]benzamide
CID 57071075
2,4-dimethyl-N-[4-(6-thia-1,8-diazatricyclo[8.3.0.03,7]trideca-3(7),4,10,12-tetraene-8-carbonyl)phenyl]benzamide
CID 70343806
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
[2-[(3-methylthiophene-2-carbonyl)amino]phenyl]boronic acid
CID 58689740

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide (CID 56636360) is 3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1.
What is the InChIKey of 3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is PCQZNSRBARAQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-16-12-14-30-22(16)23(28)25-18-10-8-17(9-11-18)24(29)27-15-19-5-4-13-26(19)20-6-2-3-7-21(20)27/h2-14H,15H2,1H3,(H,25,28).
What are the key properties of 3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide?
3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4H-pyrrolo[1,2-a]quinoxaline-5-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 56636360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).