4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde

C17H17NO3 — CID 146306262

IUPAC4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde
SMILESCOC1C(C=O)Nc2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-16-15(11-19)18-14-10-6-5-9-13(14)17(16,20)12-7-3-2-4-8-12/h2-11,15-16,18,20H,1H3
InChIKeyKLLVJISQHYACGZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.93
Rot. Bonds3

About 4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde

4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde (PubChem CID 146306262) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde
PubChem CID146306262
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde
SMILESCOC1C(C=O)Nc2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-16-15(11-19)18-14-10-6-5-9-13(14)17(16,20)12-7-3-2-4-8-12/h2-11,15-16,18,20H,1H3
InChIKeyKLLVJISQHYACGZ-UHFFFAOYSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-methyl-1,2-dihydroindol-3-ol
CID 86024263
(2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid
CID 57342093
7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
CID 142438066
methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate
CID 132594646
methyl 9-phenyl-10H-acridine-9-carboxylate
CID 13466258
1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
CID 142438041
6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
CID 146306205
(3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one
CID 7066270
6-[(1E)-5-ethoxyhexa-1,5-dienyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
CID 146306209
(2-oxo-3-phenyl-1H-indol-3-yl) acetate
CID 132917487
methyl 2-[(1S,2R)-2-hydroxy-2-phenylcyclohexyl]acetate
CID 100982423
N-(1-hydroxy-1-phenyl-3,4-dihydro-2H-naphthalen-2-yl)acetamide
CID 101100863

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde?
The IUPAC name of 4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde (CID 146306262) is 4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde.
What is the SMILES notation for 4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde?
The canonical SMILES for 4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde is COC1C(C=O)Nc2ccccc2C1(O)c1ccccc1.
What is the InChIKey of 4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde?
The InChIKey is KLLVJISQHYACGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-16-15(11-19)18-14-10-6-5-9-13(14)17(16,20)12-7-3-2-4-8-12/h2-11,15-16,18,20H,1H3.
What are the key properties of 4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde?
4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde has a molecular weight of 283.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde is sourced from PubChem (CID 146306262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).