1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde

C20H19NO4 — CID 143687888

IUPAC1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde
SMILESCOCC(C)n1c(=O)c(C=O)cc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C20H19NO4/c1-14(13-24-2)21-19-11-18(25-17-6-4-3-5-7-17)9-8-15(19)10-16(12-22)20(21)23/h3-12,14H,13H2,1-2H3
InChIKeyIYYVGWBMVLFBNZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.81
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde

1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde (PubChem CID 143687888) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde
PubChem CID143687888
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde
SMILESCOCC(C)n1c(=O)c(C=O)cc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C20H19NO4/c1-14(13-24-2)21-19-11-18(25-17-6-4-3-5-7-17)9-8-15(19)10-16(12-22)20(21)23/h3-12,14H,13H2,1-2H3
InChIKeyIYYVGWBMVLFBNZ-UHFFFAOYSA-N
XLogP3.81
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethoxypropan-2-yl)-3-[(3-oxopiperazin-1-yl)methyl]-7-phenoxyquinolin-2-one
CID 143688057
7-phenoxynaphthalene-1-carbaldehyde
CID 146459921
1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one
CID 143687924
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
1-(1-methoxypropan-2-yl)-2-methylindole
CID 70527172
2-chloro-7-phenoxyquinoline-3-carbaldehyde
CID 143687887
2,4-diphenoxybenzaldehyde
CID 87301631
2-chloro-5-phenoxybenzaldehyde
CID 131420183
[(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium
CID 7324156
ethane;1-(2-ethoxyethyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-7-phenoxyquinolin-2-one;propan-2-yl formate
CID 143687920
1,4-diphenoxybenzene;ethane;tris(2-(2-methoxyphenyl)benzaldehyde)
CID 145045586
1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde
CID 18802182

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde (CID 143687888) is 1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde is COCC(C)n1c(=O)c(C=O)cc2ccc(Oc3ccccc3)cc21.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde?
The InChIKey is IYYVGWBMVLFBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14(13-24-2)21-19-11-18(25-17-6-4-3-5-7-17)9-8-15(19)10-16(12-22)20(21)23/h3-12,14H,13H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde?
1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde has a molecular weight of 337.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-oxo-7-phenoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 143687888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).