N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide

C18H19N5O3 — CID 91762120

IUPACN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCn1cc(C(NC(=O)c2nc3ccccc3[nH]c2=O)C2CC(O)C2)cn1
InChIInChI=1S/C18H19N5O3/c1-23-9-11(8-19-23)15(10-6-12(24)7-10)22-18(26)16-17(25)21-14-5-3-2-4-13(14)20-16/h2-5,8-10,12,15,24H,6-7H2,1H3,(H,21,25)(H,22,26)
InChIKeyOXHRUVGHNSUMTF-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.90
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 91762120) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID91762120
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCn1cc(C(NC(=O)c2nc3ccccc3[nH]c2=O)C2CC(O)C2)cn1
InChIInChI=1S/C18H19N5O3/c1-23-9-11(8-19-23)15(10-6-12(24)7-10)22-18(26)16-17(25)21-14-5-3-2-4-13(14)20-16/h2-5,8-10,12,15,24H,6-7H2,1H3,(H,21,25)(H,22,26)
InChIKeyOXHRUVGHNSUMTF-UHFFFAOYSA-N
XLogP0.90
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 91766582
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 91791981
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 95193985
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91797284
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 91771159
1-cyclopropyl-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 91771002
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91761841
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 91790041
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 136889983
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 91776644
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 70814798

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide (CID 91762120) is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide is Cn1cc(C(NC(=O)c2nc3ccccc3[nH]c2=O)C2CC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is OXHRUVGHNSUMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-23-9-11(8-19-23)15(10-6-12(24)7-10)22-18(26)16-17(25)21-14-5-3-2-4-13(14)20-16/h2-5,8-10,12,15,24H,6-7H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide?
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 91762120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).