3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C20H22N2O4 — CID 42647584

IUPAC3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCOc1cccc(CCC(=O)NC2Cc3ccccc3NC2=O)c1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-9-5-7-13(19(17)26-2)10-11-18(23)21-16-12-14-6-3-4-8-15(14)22-20(16)24/h3-9,16H,10-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCWRTUKNDLFGPJO-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.32
Rot. Bonds6

About 3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 42647584) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID42647584
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCOc1cccc(CCC(=O)NC2Cc3ccccc3NC2=O)c1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-9-5-7-13(19(17)26-2)10-11-18(23)21-16-12-14-6-3-4-8-15(14)22-20(16)24/h3-9,16H,10-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCWRTUKNDLFGPJO-UHFFFAOYSA-N
XLogP2.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)butanamide
CID 175252250
3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 51723970
tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 57049298
N-(2-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615477
3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 9428782
N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 71910445
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
(3R)-2-[3-(2,3-dimethoxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 9363514
3-(2,3-dimethoxyphenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9481076
3-(2,3-dimethoxyphenyl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9294680
N-[(2-methoxyphenyl)methyl]-2-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]acetamide
CID 42234719

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 42647584) is 3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is COc1cccc(CCC(=O)NC2Cc3ccccc3NC2=O)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is CWRTUKNDLFGPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-9-5-7-13(19(17)26-2)10-11-18(23)21-16-12-14-6-3-4-8-15(14)22-20(16)24/h3-9,16H,10-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 42647584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).