N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide

C16H21N3O2 — CID 103107561

IUPACN-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
SMILESCCN(C)C(=O)C(C)NCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H21N3O2/c1-4-19(3)16(21)11(2)17-10-13-9-12-7-5-6-8-14(12)18-15(13)20/h5-9,11,17H,4,10H2,1-3H3,(H,18,20)
InChIKeyIEFFQEAWWSVPNH-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.48
Rot. Bonds5

About N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide

N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide (PubChem CID 103107561) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
PubChem CID103107561
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
SMILESCCN(C)C(=O)C(C)NCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H21N3O2/c1-4-19(3)16(21)11(2)17-10-13-9-12-7-5-6-8-14(12)18-15(13)20/h5-9,11,17H,4,10H2,1-3H3,(H,18,20)
InChIKeyIEFFQEAWWSVPNH-UHFFFAOYSA-N
XLogP1.48
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid
CID 120510789
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylacetamide
CID 945365
3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid
CID 166226957
3-[(4-methylsulfanylbutan-2-ylamino)methyl]-1H-quinolin-2-one
CID 115640570
N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
CID 119136138
N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide
CID 107731050
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 945290
N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2038527
N-ethyl-N-methyl-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]propanamide
CID 136713557
N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 103275902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide (CID 103107561) is N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide is CCN(C)C(=O)C(C)NCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide?
The InChIKey is IEFFQEAWWSVPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(3)16(21)11(2)17-10-13-9-12-7-5-6-8-14(12)18-15(13)20/h5-9,11,17H,4,10H2,1-3H3,(H,18,20).
What are the key properties of N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide?
N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide is sourced from PubChem (CID 103107561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).