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

C21H25N3O2 — CID 54840833

IUPAC4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-15(2)23-21(26)17-9-11-18(12-10-17)22-14-20(25)24-13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12,15,22H,5,7,13-14H2,1-2H3,(H,23,26)
InChIKeyBPWSUYZKLVRLSD-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.22
Rot. Bonds5

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

4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54840833) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54840833
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-15(2)23-21(26)17-9-11-18(12-10-17)22-14-20(25)24-13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12,15,22H,5,7,13-14H2,1-2H3,(H,23,26)
InChIKeyBPWSUYZKLVRLSD-UHFFFAOYSA-N
XLogP3.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide with MolForge

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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-methyl-N-phenylbenzamide
CID 54838496
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842857
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839210
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone
CID 54822111
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 54835226
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
CID 54822552
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165
4-bromo-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 53037123
N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide
CID 95091917

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide (CID 54840833) is 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is BPWSUYZKLVRLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(2)23-21(26)17-9-11-18(12-10-17)22-14-20(25)24-13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12,15,22H,5,7,13-14H2,1-2H3,(H,23,26).
What are the key properties of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 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-propan-2-ylbenzamide is sourced from PubChem (CID 54840833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).