N-(3,7-dimethoxyquinoxalin-2-yl)formamide

C11H11N3O3 — CID 91284157

IUPACN-(3,7-dimethoxyquinoxalin-2-yl)formamide
SMILESCOc1ccc2nc(OC)c(NC=O)nc2c1
InChIInChI=1S/C11H11N3O3/c1-16-7-3-4-8-9(5-7)13-10(12-6-15)11(14-8)17-2/h3-6H,1-2H3,(H,12,13,15)
InChIKeyRIILQBXIGBGADN-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.22
Rot. Bonds4

About N-(3,7-dimethoxyquinoxalin-2-yl)formamide

N-(3,7-dimethoxyquinoxalin-2-yl)formamide (PubChem CID 91284157) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(3,7-dimethoxyquinoxalin-2-yl)formamide.

Molecular Properties

Compound NameN-(3,7-dimethoxyquinoxalin-2-yl)formamide
PubChem CID91284157
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-(3,7-dimethoxyquinoxalin-2-yl)formamide
SMILESCOc1ccc2nc(OC)c(NC=O)nc2c1
InChIInChI=1S/C11H11N3O3/c1-16-7-3-4-8-9(5-7)13-10(12-6-15)11(14-8)17-2/h3-6H,1-2H3,(H,12,13,15)
InChIKeyRIILQBXIGBGADN-UHFFFAOYSA-N
XLogP1.22
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3,7-dimethoxyquinoxalin-2-yl)carbamic acid
CID 90770827
N-[3-(hydroxyamino)-6-methoxyquinoxalin-2-yl]hydroxylamine
CID 135778350
4-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
2,4,6-trimethoxyquinoline-3-carbaldehyde
CID 3441994
N-(3-methoxy-5-methylpyrazin-2-yl)formamide
CID 91597078
(3-methoxy-6-methylquinoxalin-2-yl)carbamic acid
CID 91217663
5-methoxycyclobuta[b]quinoxaline-1,2-diol
CID 146025256
4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde
CID 174859471
N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 69243942
(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid
CID 123860282
6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
CID 155541028
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide
CID 57381913

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethoxyquinoxalin-2-yl)formamide?
The IUPAC name of N-(3,7-dimethoxyquinoxalin-2-yl)formamide (CID 91284157) is N-(3,7-dimethoxyquinoxalin-2-yl)formamide.
What is the SMILES notation for N-(3,7-dimethoxyquinoxalin-2-yl)formamide?
The canonical SMILES for N-(3,7-dimethoxyquinoxalin-2-yl)formamide is COc1ccc2nc(OC)c(NC=O)nc2c1.
What is the InChIKey of N-(3,7-dimethoxyquinoxalin-2-yl)formamide?
The InChIKey is RIILQBXIGBGADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-16-7-3-4-8-9(5-7)13-10(12-6-15)11(14-8)17-2/h3-6H,1-2H3,(H,12,13,15).
What are the key properties of N-(3,7-dimethoxyquinoxalin-2-yl)formamide?
N-(3,7-dimethoxyquinoxalin-2-yl)formamide has a molecular weight of 233.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethoxyquinoxalin-2-yl)formamide is sourced from PubChem (CID 91284157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).