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

C16H23N3O2 — CID 122188350

IUPACN-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1CCc2ccccc2N1CC(=O)NC
InChIInChI=1S/C16H23N3O2/c1-3-15(20)18-10-13-9-8-12-6-4-5-7-14(12)19(13)11-16(21)17-2/h4-7,13H,3,8-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyYFPKLXYRFWJQGD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.08
Rot. Bonds5

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

N-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide (PubChem CID 122188350) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide
PubChem CID122188350
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1CCc2ccccc2N1CC(=O)NC
InChIInChI=1S/C16H23N3O2/c1-3-15(20)18-10-13-9-8-12-6-4-5-7-14(12)19(13)11-16(21)17-2/h4-7,13H,3,8-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyYFPKLXYRFWJQGD-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide?
The IUPAC name of N-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide (CID 122188350) is N-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide is CCC(=O)NCC1CCc2ccccc2N1CC(=O)NC.
What is the InChIKey of N-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide?
The InChIKey is YFPKLXYRFWJQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-15(20)18-10-13-9-8-12-6-4-5-7-14(12)19(13)11-16(21)17-2/h4-7,13H,3,8-11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide?
N-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]propanamide is sourced from PubChem (CID 122188350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).