(3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

C19H16N4O3S — CID 125434027

IUPAC(3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C19H16N4O3S/c24-17(10-16(12-5-8-27-11-12)23-6-1-2-7-23)20-13-3-4-14-15(9-13)22-19(26)18(25)21-14/h1-9,11,16H,10H2,(H,20,24)(H,21,25)(H,22,26)/t16-/m1/s1
InChIKeyFYISQCJWSCSVQA-MRXNPFEDSA-N
MW380.43 g/mol
LogP2.70
Rot. Bonds5

About (3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

(3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (PubChem CID 125434027) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is (3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
PubChem CID125434027
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name(3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C19H16N4O3S/c24-17(10-16(12-5-8-27-11-12)23-6-1-2-7-23)20-13-3-4-14-15(9-13)22-19(26)18(25)21-14/h1-9,11,16H,10H2,(H,20,24)(H,21,25)(H,22,26)/t16-/m1/s1
InChIKeyFYISQCJWSCSVQA-MRXNPFEDSA-N
XLogP2.70
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[Benzyl-(2-thiophen-2-yl-acetyl)-amino]-N-cyclopentyl-2-pyridin-4-yl-acetamide
CID 3202582
N-Cyclopentyl-2-[(3-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-2-pyridin-4-yl-acetamide
CID 3202587
N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202604
N-Cyclopentyl-2-pyridin-4-yl-2-[(2-thiophen-2-yl-acetyl)-m-tolyl-amino]-acetamide
CID 3202606
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202877
then-2-oyl-Gly-DL-N(Ph(3-F))Gly(pyrid-3-yl)-NHcPent
CID 3211133
then-2-oyl-Gly-DL-N(Ph(4-F))Gly(pyrid-3-yl)-NHcPent
CID 3211141
1-{[(2,6-Dimethylphenyl)amino]carbonyl}-3-oxo-2-(thien-2-ylmethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium
CID 16193763
N-Cyclohexyl-2-[phenethyl-(2-thiophen-2-yl-acetyl)-amino]-2-pyridin-3-yl-acetamide
CID 3191138
N-Cyclopentyl-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-2-pyridin-4-yl-acetamide
CID 3202585
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-phenyl-carbamoyl]-methyl}-amide
CID 3211145

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of (3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (CID 125434027) is (3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for (3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for (3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of (3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The InChIKey is FYISQCJWSCSVQA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-17(10-16(12-5-8-27-11-12)23-6-1-2-7-23)20-13-3-4-14-15(9-13)22-19(26)18(25)21-14/h1-9,11,16H,10H2,(H,20,24)(H,21,25)(H,22,26)/t16-/m1/s1.
What are the key properties of (3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
(3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide has a molecular weight of 380.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 125434027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).