(3,7-dimethoxyquinoxalin-2-yl)carbamic acid

C11H11N3O4 — CID 90770827

IUPAC(3,7-dimethoxyquinoxalin-2-yl)carbamic acid
SMILESCOc1ccc2nc(OC)c(NC(=O)O)nc2c1
InChIInChI=1S/C11H11N3O4/c1-17-6-3-4-7-8(5-6)12-9(14-11(15)16)10(13-7)18-2/h3-5H,1-2H3,(H,12,14)(H,15,16)
InChIKeyLGVPDSGPMZRHQJ-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.74
Rot. Bonds3

About (3,7-dimethoxyquinoxalin-2-yl)carbamic acid

(3,7-dimethoxyquinoxalin-2-yl)carbamic acid (PubChem CID 90770827) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is (3,7-dimethoxyquinoxalin-2-yl)carbamic acid.

Molecular Properties

Compound Name(3,7-dimethoxyquinoxalin-2-yl)carbamic acid
PubChem CID90770827
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name(3,7-dimethoxyquinoxalin-2-yl)carbamic acid
SMILESCOc1ccc2nc(OC)c(NC(=O)O)nc2c1
InChIInChI=1S/C11H11N3O4/c1-17-6-3-4-7-8(5-6)12-9(14-11(15)16)10(13-7)18-2/h3-5H,1-2H3,(H,12,14)(H,15,16)
InChIKeyLGVPDSGPMZRHQJ-UHFFFAOYSA-N
XLogP1.74
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-6-methylquinoxalin-2-yl)carbamic acid
CID 91217663
(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid
CID 123860282
N-(3,7-dimethoxyquinoxalin-2-yl)formamide
CID 91284157
4-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
N-[3-(hydroxyamino)-6-methoxyquinoxalin-2-yl]hydroxylamine
CID 135778350
N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 69243942
4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 175252468
1-(3,7-dimethoxyquinoxalin-2-yl)-3-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]urea
CID 142700541
(6-methoxyquinolin-3-yl)carbamic acid
CID 22326813
2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid
CID 138525691
(5,6-diethyl-3-methoxypyrazin-2-yl)carbamic acid
CID 57099309
5-methoxycyclobuta[b]quinoxaline-1,2-diol
CID 146025256

Frequently Asked Questions

What is the IUPAC name of (3,7-dimethoxyquinoxalin-2-yl)carbamic acid?
The IUPAC name of (3,7-dimethoxyquinoxalin-2-yl)carbamic acid (CID 90770827) is (3,7-dimethoxyquinoxalin-2-yl)carbamic acid.
What is the SMILES notation for (3,7-dimethoxyquinoxalin-2-yl)carbamic acid?
The canonical SMILES for (3,7-dimethoxyquinoxalin-2-yl)carbamic acid is COc1ccc2nc(OC)c(NC(=O)O)nc2c1.
What is the InChIKey of (3,7-dimethoxyquinoxalin-2-yl)carbamic acid?
The InChIKey is LGVPDSGPMZRHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-17-6-3-4-7-8(5-6)12-9(14-11(15)16)10(13-7)18-2/h3-5H,1-2H3,(H,12,14)(H,15,16).
What are the key properties of (3,7-dimethoxyquinoxalin-2-yl)carbamic acid?
(3,7-dimethoxyquinoxalin-2-yl)carbamic acid has a molecular weight of 249.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethoxyquinoxalin-2-yl)carbamic acid is sourced from PubChem (CID 90770827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).