2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid

C18H14N4O5 — CID 69461730

IUPAC2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid
SMILESCc1c(NC(=O)NC(=O)c2ccc3nccnc3c2)ccc(C(=O)O)c1O
InChIInChI=1S/C18H14N4O5/c1-9-12(5-3-11(15(9)23)17(25)26)21-18(27)22-16(24)10-2-4-13-14(8-10)20-7-6-19-13/h2-8,23H,1H3,(H,25,26)(H2,21,22,24,27)
InChIKeyHKRNITCQXXNYFW-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.30
Rot. Bonds3

About 2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid

2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid (PubChem CID 69461730) has the molecular formula C18H14N4O5 and a molecular weight of 366.33 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid
PubChem CID69461730
Molecular FormulaC18H14N4O5
Molecular Weight366.33 g/mol
Exact Mass366.10
IUPAC Name2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid
SMILESCc1c(NC(=O)NC(=O)c2ccc3nccnc3c2)ccc(C(=O)O)c1O
InChIInChI=1S/C18H14N4O5/c1-9-12(5-3-11(15(9)23)17(25)26)21-18(27)22-16(24)10-2-4-13-14(8-10)20-7-6-19-13/h2-8,23H,1H3,(H,25,26)(H2,21,22,24,27)
InChIKeyHKRNITCQXXNYFW-UHFFFAOYSA-N
XLogP2.30
TPSA141.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid?
The IUPAC name of 2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid (CID 69461730) is 2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid is Cc1c(NC(=O)NC(=O)c2ccc3nccnc3c2)ccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid?
The InChIKey is HKRNITCQXXNYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5/c1-9-12(5-3-11(15(9)23)17(25)26)21-18(27)22-16(24)10-2-4-13-14(8-10)20-7-6-19-13/h2-8,23H,1H3,(H,25,26)(H2,21,22,24,27).
What are the key properties of 2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid?
2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid has a molecular weight of 366.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid is sourced from PubChem (CID 69461730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).