2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde

C12H13NO3 — CID 153165592

IUPAC2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde
SMILESCOc1ccc2c(c1)N(CC=O)C(=O)CC2
InChIInChI=1S/C12H13NO3/c1-16-10-4-2-9-3-5-12(15)13(6-7-14)11(9)8-10/h2,4,7-8H,3,5-6H2,1H3
InChIKeyWDEPQRBKROAILO-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.17
Rot. Bonds3

About 2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde

2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde (PubChem CID 153165592) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde
PubChem CID153165592
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde
SMILESCOc1ccc2c(c1)N(CC=O)C(=O)CC2
InChIInChI=1S/C12H13NO3/c1-16-10-4-2-9-3-5-12(15)13(6-7-14)11(9)8-10/h2,4,7-8H,3,5-6H2,1H3
InChIKeyWDEPQRBKROAILO-UHFFFAOYSA-N
XLogP1.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one
CID 135138136
7-methoxy-1-(2-piperidin-1-ylethyl)-3,4-dihydroquinolin-2-one
CID 141163160
2-(8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetonitrile
CID 142193898
1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 145488236
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one
CID 10645430
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 65326077
1-(4-bromobutyl)-6-methoxy-3,4-dihydroquinolin-2-one
CID 67152877
1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 167792230
1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one
CID 140970638
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 143541163
3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal
CID 63041512
2-(6-methoxy-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde
CID 83849536

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde?
The IUPAC name of 2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde (CID 153165592) is 2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde?
The canonical SMILES for 2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde is COc1ccc2c(c1)N(CC=O)C(=O)CC2.
What is the InChIKey of 2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde?
The InChIKey is WDEPQRBKROAILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-10-4-2-9-3-5-12(15)13(6-7-14)11(9)8-10/h2,4,7-8H,3,5-6H2,1H3.
What are the key properties of 2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde?
2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde has a molecular weight of 219.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde is sourced from PubChem (CID 153165592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).