(3-methoxy-6-methylquinoxalin-2-yl)carbamic acid

C11H11N3O3 — CID 91217663

IUPAC(3-methoxy-6-methylquinoxalin-2-yl)carbamic acid
SMILESCOc1nc2cc(C)ccc2nc1NC(=O)O
InChIInChI=1S/C11H11N3O3/c1-6-3-4-7-8(5-6)13-10(17-2)9(12-7)14-11(15)16/h3-5H,1-2H3,(H,12,14)(H,15,16)
InChIKeySBFOAEURYJEFNN-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.04
Rot. Bonds2

About (3-methoxy-6-methylquinoxalin-2-yl)carbamic acid

(3-methoxy-6-methylquinoxalin-2-yl)carbamic acid (PubChem CID 91217663) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is (3-methoxy-6-methylquinoxalin-2-yl)carbamic acid.

Molecular Properties

Compound Name(3-methoxy-6-methylquinoxalin-2-yl)carbamic acid
PubChem CID91217663
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name(3-methoxy-6-methylquinoxalin-2-yl)carbamic acid
SMILESCOc1nc2cc(C)ccc2nc1NC(=O)O
InChIInChI=1S/C11H11N3O3/c1-6-3-4-7-8(5-6)13-10(17-2)9(12-7)14-11(15)16/h3-5H,1-2H3,(H,12,14)(H,15,16)
InChIKeySBFOAEURYJEFNN-UHFFFAOYSA-N
XLogP2.04
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,7-dimethoxyquinoxalin-2-yl)carbamic acid
CID 90770827
(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid
CID 123860282
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-6-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244400
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid
CID 138525691
(5,6-diethyl-3-methoxypyrazin-2-yl)carbamic acid
CID 57099309
1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea
CID 86062344
(6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid
CID 70198333
4-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
3-methoxy-6,7-dimethyl-N-(4-methylphenyl)quinoxaline-2-carboxamide
CID 50780048
N-(3,7-dimethoxyquinoxalin-2-yl)formamide
CID 91284157
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 69243276

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-6-methylquinoxalin-2-yl)carbamic acid?
The IUPAC name of (3-methoxy-6-methylquinoxalin-2-yl)carbamic acid (CID 91217663) is (3-methoxy-6-methylquinoxalin-2-yl)carbamic acid.
What is the SMILES notation for (3-methoxy-6-methylquinoxalin-2-yl)carbamic acid?
The canonical SMILES for (3-methoxy-6-methylquinoxalin-2-yl)carbamic acid is COc1nc2cc(C)ccc2nc1NC(=O)O.
What is the InChIKey of (3-methoxy-6-methylquinoxalin-2-yl)carbamic acid?
The InChIKey is SBFOAEURYJEFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6-3-4-7-8(5-6)13-10(17-2)9(12-7)14-11(15)16/h3-5H,1-2H3,(H,12,14)(H,15,16).
What are the key properties of (3-methoxy-6-methylquinoxalin-2-yl)carbamic acid?
(3-methoxy-6-methylquinoxalin-2-yl)carbamic acid has a molecular weight of 233.23 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-6-methylquinoxalin-2-yl)carbamic acid is sourced from PubChem (CID 91217663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).