2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide

C19H29N3O2 — CID 87015013

IUPAC2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H29N3O2/c1-3-11-20-18(23)14-21(12-4-2)15-19(24)22-13-7-9-16-8-5-6-10-17(16)22/h5-6,8,10H,3-4,7,9,11-15H2,1-2H3,(H,20,23)
InChIKeyQEUKKQMTQPEMOA-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.20
Rot. Bonds8

About 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide

2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide (PubChem CID 87015013) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide
PubChem CID87015013
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H29N3O2/c1-3-11-20-18(23)14-21(12-4-2)15-19(24)22-13-7-9-16-8-5-6-10-17(16)22/h5-6,8,10H,3-4,7,9,11-15H2,1-2H3,(H,20,23)
InChIKeyQEUKKQMTQPEMOA-UHFFFAOYSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157998
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
2-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]-N-propylacetamide
CID 87015051
3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
CID 154773989
N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2441689
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
N-butan-2-yl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113159104
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone
CID 55437399
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108957855
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51260991
2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide
CID 78862673

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide (CID 87015013) is 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide?
The InChIKey is QEUKKQMTQPEMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-11-20-18(23)14-21(12-4-2)15-19(24)22-13-7-9-16-8-5-6-10-17(16)22/h5-6,8,10H,3-4,7,9,11-15H2,1-2H3,(H,20,23).
What are the key properties of 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide?
2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide has a molecular weight of 331.46 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide is sourced from PubChem (CID 87015013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).