7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide

C18H14FN3O2 — CID 124883528

IUPAC7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide
SMILESO=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1cc2nccnc2cc1F
InChIInChI=1S/C18H14FN3O2/c19-13-9-15-14(20-5-6-21-15)8-12(13)18(24)22-16-7-10-3-1-2-4-11(10)17(16)23/h1-6,8-9,16-17,23H,7H2,(H,22,24)/t16-,17+/m1/s1
InChIKeyGSHROJNFPWYBDN-SJORKVTESA-N
MW323.33 g/mol
LogP2.16
Rot. Bonds2

About 7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide

7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide (PubChem CID 124883528) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide
PubChem CID124883528
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide
SMILESO=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1cc2nccnc2cc1F
InChIInChI=1S/C18H14FN3O2/c19-13-9-15-14(20-5-6-21-15)8-12(13)18(24)22-16-7-10-3-1-2-4-11(10)17(16)23/h1-6,8-9,16-17,23H,7H2,(H,22,24)/t16-,17+/m1/s1
InChIKeyGSHROJNFPWYBDN-SJORKVTESA-N
XLogP2.16
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide
CID 124883524
7-fluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide
CID 124883525
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
2,3-difluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 103337662
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
2,3-difluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 62660008
2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107677059
1-(4-bromophenyl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-5-methylpyrazole-4-carboxamide
CID 97066451
4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211343
1-ethyl-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 124887187
1-ethyl-N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 124887184
3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide
CID 124883091

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide?
The IUPAC name of 7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide (CID 124883528) is 7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide is O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1cc2nccnc2cc1F.
What is the InChIKey of 7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide?
The InChIKey is GSHROJNFPWYBDN-SJORKVTESA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-13-9-15-14(20-5-6-21-15)8-12(13)18(24)22-16-7-10-3-1-2-4-11(10)17(16)23/h1-6,8-9,16-17,23H,7H2,(H,22,24)/t16-,17+/m1/s1.
What are the key properties of 7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide?
7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]quinoxaline-6-carboxamide is sourced from PubChem (CID 124883528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).