N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C18H15N5O4 — CID 23474664

IUPACN-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)o1
InChIInChI=1S/C18H15N5O4/c1-10-2-4-12(27-10)9-23-15(6-7-19-23)22-16(24)11-3-5-13-14(8-11)21-18(26)17(25)20-13/h2-8H,9H2,1H3,(H,20,25)(H,21,26)(H,22,24)
InChIKeyJRSLPJHMHBFOCJ-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.61
Rot. Bonds4

About N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23474664) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID23474664
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC NameN-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)o1
InChIInChI=1S/C18H15N5O4/c1-10-2-4-12(27-10)9-23-15(6-7-19-23)22-16(24)11-3-5-13-14(8-11)21-18(26)17(25)20-13/h2-8H,9H2,1H3,(H,20,25)(H,21,26)(H,22,24)
InChIKeyJRSLPJHMHBFOCJ-UHFFFAOYSA-N
XLogP1.61
TPSA125.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 8903088
2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide
CID 71883351
2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 71885828
1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99703802
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide
CID 9166056
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea
CID 86800389
N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 8712515
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 39834947
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 23474664) is N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is Cc1ccc(Cn2nccc2NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)o1.
What is the InChIKey of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is JRSLPJHMHBFOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-10-2-4-12(27-10)9-23-15(6-7-19-23)22-16(24)11-3-5-13-14(8-11)21-18(26)17(25)20-13/h2-8H,9H2,1H3,(H,20,25)(H,21,26)(H,22,24).
What are the key properties of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23474664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).