3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide

C22H27N3O4 — CID 18127355

IUPAC3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)N2CCCc3cc(OC)ccc32)cc1
InChIInChI=1S/C22H27N3O4/c1-28-18-7-5-17(6-8-18)24(13-11-21(23)26)15-22(27)25-12-3-4-16-14-19(29-2)9-10-20(16)25/h5-10,14H,3-4,11-13,15H2,1-2H3,(H2,23,26)
InChIKeyQHKRLEWAUINPHE-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.37
Rot. Bonds8

About 3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide

3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide (PubChem CID 18127355) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide
PubChem CID18127355
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)N2CCCc3cc(OC)ccc32)cc1
InChIInChI=1S/C22H27N3O4/c1-28-18-7-5-17(6-8-18)24(13-11-21(23)26)15-22(27)25-12-3-4-16-14-19(29-2)9-10-20(16)25/h5-10,14H,3-4,11-13,15H2,1-2H3,(H2,23,26)
InChIKeyQHKRLEWAUINPHE-UHFFFAOYSA-N
XLogP2.37
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide
CID 18207241
2-[2-hydroxypropyl(propan-2-yl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 111107882
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 111423250
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18131392
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate
CID 36502951
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 18122079
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 55468248
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide?
The IUPAC name of 3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide (CID 18127355) is 3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide.
What is the SMILES notation for 3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide?
The canonical SMILES for 3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide is COc1ccc(N(CCC(N)=O)CC(=O)N2CCCc3cc(OC)ccc32)cc1.
What is the InChIKey of 3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide?
The InChIKey is QHKRLEWAUINPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-18-7-5-17(6-8-18)24(13-11-21(23)26)15-22(27)25-12-3-4-16-14-19(29-2)9-10-20(16)25/h5-10,14H,3-4,11-13,15H2,1-2H3,(H2,23,26).
What are the key properties of 3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide?
3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide has a molecular weight of 397.48 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide is sourced from PubChem (CID 18127355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).