2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid

C10H11ClN2O2 — CID 83850094

IUPAC2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid
SMILESO=C(O)CN1CCNc2ccc(Cl)cc21
InChIInChI=1S/C10H11ClN2O2/c11-7-1-2-8-9(5-7)13(4-3-12-8)6-10(14)15/h1-2,5,12H,3-4,6H2,(H,14,15)
InChIKeyFLUFIOAJDAEQMA-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.66
Rot. Bonds2

About 2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid

2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid (PubChem CID 83850094) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid
PubChem CID83850094
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid
SMILESO=C(O)CN1CCNc2ccc(Cl)cc21
InChIInChI=1S/C10H11ClN2O2/c11-7-1-2-8-9(5-7)13(4-3-12-8)6-10(14)15/h1-2,5,12H,3-4,6H2,(H,14,15)
InChIKeyFLUFIOAJDAEQMA-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid
CID 83848758
1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol
CID 117235986
2-(7-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)acetic acid
CID 84631047
4-(2-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030646
4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline
CID 115472217
4-[2-(methylamino)ethyl]-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030644
2-(8-chloro-6-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetic acid
CID 84635488
2-(7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)acetic acid
CID 84633183
2-(6-fluoro-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)acetic acid
CID 84624562
4-[(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 65317921
1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
CID 117006991
4-tert-butyl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117006556

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid?
The IUPAC name of 2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid (CID 83850094) is 2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid is O=C(O)CN1CCNc2ccc(Cl)cc21.
What is the InChIKey of 2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid?
The InChIKey is FLUFIOAJDAEQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-7-1-2-8-9(5-7)13(4-3-12-8)6-10(14)15/h1-2,5,12H,3-4,6H2,(H,14,15).
What are the key properties of 2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid?
2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid has a molecular weight of 226.66 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid is sourced from PubChem (CID 83850094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).