4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

C25H25N3O2 — CID 54838496

IUPAC4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C25H25N3O2/c1-27(22-10-3-2-4-11-22)25(30)20-13-15-21(16-14-20)26-18-24(29)28-17-7-9-19-8-5-6-12-23(19)28/h2-6,8,10-16,26H,7,9,17-18H2,1H3
InChIKeyJNTHCADSPHJNGI-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.35
Rot. Bonds5

About 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54838496) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54838496
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C25H25N3O2/c1-27(22-10-3-2-4-11-22)25(30)20-13-15-21(16-14-20)26-18-24(29)28-17-7-9-19-8-5-6-12-23(19)28/h2-6,8,10-16,26H,7,9,17-18H2,1H3
InChIKeyJNTHCADSPHJNGI-UHFFFAOYSA-N
XLogP4.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838444
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 53125847
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethanone
CID 68969181
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842857
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 54835226
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108505624
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-phenylpropanamide
CID 120590099

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (CID 54838496) is 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is JNTHCADSPHJNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-27(22-10-3-2-4-11-22)25(30)20-13-15-21(16-14-20)26-18-24(29)28-17-7-9-19-8-5-6-12-23(19)28/h2-6,8,10-16,26H,7,9,17-18H2,1H3.
What are the key properties of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 399.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54838496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).