6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde

C14H15NO2 — CID 16649205

IUPAC6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde
SMILESC=CCOC1Nc2ccc(C)cc2C=C1C=O
InChIInChI=1S/C14H15NO2/c1-3-6-17-14-12(9-16)8-11-7-10(2)4-5-13(11)15-14/h3-5,7-9,14-15H,1,6H2,2H3
InChIKeyBLYKYROJFAFUDM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.53
Rot. Bonds4

About 6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde

6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde (PubChem CID 16649205) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde
PubChem CID16649205
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde
SMILESC=CCOC1Nc2ccc(C)cc2C=C1C=O
InChIInChI=1S/C14H15NO2/c1-3-6-17-14-12(9-16)8-11-7-10(2)4-5-13(11)15-14/h3-5,7-9,14-15H,1,6H2,2H3
InChIKeyBLYKYROJFAFUDM-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543
6-Methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde
CID 906097
3-Ethoxymethylquinolin-2-one
CID 119091123
Dihydroquinoline-3-carbaldehyde
CID 87846948
3-Quinolinecarboxylic acid, 1,2-dihydro-6-methyl-2-oxo-, ethyl ester
CID 132605368
Ethyl 6-trifluoromethyl-1,2-dihydro-2-(trifluoromethyl)-3-quinolinecarboxylate
CID 21883618
2-methoxy-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde
CID 88921890
2-Hydroxy-6-methyl-1,2-dihydroquinoline-3-carbaldehyde
CID 156905604
2-Hydroxy-1,2-dihydroquinoline-3-carbaldehyde
CID 170898303
Ethyl 5-fluoro-6-methyl-1,2-dihydroquinoline-3-carboxylate
CID 71527214
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate
CID 944174
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate
CID 1399918

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde?
The IUPAC name of 6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde (CID 16649205) is 6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde.
What is the SMILES notation for 6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde?
The canonical SMILES for 6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde is C=CCOC1Nc2ccc(C)cc2C=C1C=O.
What is the InChIKey of 6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde?
The InChIKey is BLYKYROJFAFUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-6-17-14-12(9-16)8-11-7-10(2)4-5-13(11)15-14/h3-5,7-9,14-15H,1,6H2,2H3.
What are the key properties of 6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde?
6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde is sourced from PubChem (CID 16649205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).