1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde

C12H13NO2 — CID 145488236

IUPAC1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
SMILESCCN1C(=O)CCc2ccc(C=O)cc21
InChIInChI=1S/C12H13NO2/c1-2-13-11-7-9(8-14)3-4-10(11)5-6-12(13)15/h3-4,7-8H,2,5-6H2,1H3
InChIKeyJVHQSGITXSXCHR-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.80
Rot. Bonds2

About 1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde

1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde (PubChem CID 145488236) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
PubChem CID145488236
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
SMILESCCN1C(=O)CCc2ccc(C=O)cc21
InChIInChI=1S/C12H13NO2/c1-2-13-11-7-9(8-14)3-4-10(11)5-6-12(13)15/h3-4,7-8H,2,5-6H2,1H3
InChIKeyJVHQSGITXSXCHR-UHFFFAOYSA-N
XLogP1.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 83483627
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
2-ethyl-1,3-dihydroisoindole-5-carbaldehyde
CID 84717608
1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carbaldehyde
CID 84671403
2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde
CID 153165592
2-ethyl-1,3-dioxoisoindole-5-carbaldehyde
CID 58922228
3-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanal
CID 63041512
1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde
CID 82411141
10-ethylphenoxazine-3,7-dicarbaldehyde
CID 18704481
7-fluoro-1-[2-(propylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 61387630
1-ethyl-6-(trifluoromethyl)-3H-indol-2-one
CID 117206073
1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 12899515

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde?
The IUPAC name of 1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde (CID 145488236) is 1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde.
What is the SMILES notation for 1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde?
The canonical SMILES for 1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde is CCN1C(=O)CCc2ccc(C=O)cc21.
What is the InChIKey of 1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde?
The InChIKey is JVHQSGITXSXCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-13-11-7-9(8-14)3-4-10(11)5-6-12(13)15/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde?
1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde is sourced from PubChem (CID 145488236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).