2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde

C12H16N2O2 — CID 83849536

IUPAC2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde
SMILESCOc1ccc2c(c1)N(C)CCN2CC=O
InChIInChI=1S/C12H16N2O2/c1-13-5-6-14(7-8-15)11-4-3-10(16-2)9-12(11)13/h3-4,8-9H,5-7H2,1-2H3
InChIKeyBCBHJAQFHCCZIV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.15
Rot. Bonds3

About 2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde

2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde (PubChem CID 83849536) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde
PubChem CID83849536
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde
SMILESCOc1ccc2c(c1)N(C)CCN2CC=O
InChIInChI=1S/C12H16N2O2/c1-13-5-6-14(7-8-15)11-4-3-10(16-2)9-12(11)13/h3-4,8-9H,5-7H2,1-2H3
InChIKeyBCBHJAQFHCCZIV-UHFFFAOYSA-N
XLogP1.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde
CID 153165592
2-(3-methyl-2-oxoimidazolidin-1-yl)acetaldehyde
CID 57135184
(4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol
CID 125494089
2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde
CID 87513526
2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde
CID 24950980
2-(5-methoxybenzotriazol-1-yl)acetaldehyde
CID 83829654
2-(2-formyl-4-methoxyphenyl)acetonitrile
CID 55265214
methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115040747
5-methoxy-2-pyrrol-1-ylbenzaldehyde
CID 121010613
4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline
CID 175211825
methyl 3-(8-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl)propanoate
CID 156781351
1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione
CID 68674815

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde?
The IUPAC name of 2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde (CID 83849536) is 2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde?
The canonical SMILES for 2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde is COc1ccc2c(c1)N(C)CCN2CC=O.
What is the InChIKey of 2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde?
The InChIKey is BCBHJAQFHCCZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-5-6-14(7-8-15)11-4-3-10(16-2)9-12(11)13/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde?
2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde has a molecular weight of 220.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde is sourced from PubChem (CID 83849536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).