N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide

C17H17N5O2 — CID 95193985

IUPACN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCn1ccnc1[C@@H](NC(=O)c1nc2ccccc2[nH]c1=O)C1CC1
InChIInChI=1S/C17H17N5O2/c1-22-9-8-18-15(22)13(10-6-7-10)21-17(24)14-16(23)20-12-5-3-2-4-11(12)19-14/h2-5,8-10,13H,6-7H2,1H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeyAZXHKJIUFAMBQM-ZDUSSCGKSA-N
MW323.36 g/mol
LogP1.54
Rot. Bonds4

About N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide

N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 95193985) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID95193985
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCn1ccnc1[C@@H](NC(=O)c1nc2ccccc2[nH]c1=O)C1CC1
InChIInChI=1S/C17H17N5O2/c1-22-9-8-18-15(22)13(10-6-7-10)21-17(24)14-16(23)20-12-5-3-2-4-11(12)19-14/h2-5,8-10,13H,6-7H2,1H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeyAZXHKJIUFAMBQM-ZDUSSCGKSA-N
XLogP1.54
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 125436853
N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]quinoxaline-2-carboxamide
CID 129487226
N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 70814798
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 91762120
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91794163
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172674256
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 124852775
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 122569754
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide (CID 95193985) is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide is Cn1ccnc1[C@@H](NC(=O)c1nc2ccccc2[nH]c1=O)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is AZXHKJIUFAMBQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22-9-8-18-15(22)13(10-6-7-10)21-17(24)14-16(23)20-12-5-3-2-4-11(12)19-14/h2-5,8-10,13H,6-7H2,1H3,(H,20,23)(H,21,24)/t13-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide?
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 95193985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).