3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide

C14H19N3O2 — CID 115152989

IUPAC3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
SMILESNCCC(=O)NCCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c15-7-5-13(18)16-8-6-10-1-3-12-11(9-10)2-4-14(19)17-12/h1,3,9H,2,4-8,15H2,(H,16,18)(H,17,19)
InChIKeyKDASOTKGNQOVDO-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.58
Rot. Bonds5

About 3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide

3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide (PubChem CID 115152989) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
PubChem CID115152989
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
SMILESNCCC(=O)NCCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19N3O2/c15-7-5-13(18)16-8-6-10-1-3-12-11(9-10)2-4-14(19)17-12/h1,3,9H,2,4-8,15H2,(H,16,18)(H,17,19)
InChIKeyKDASOTKGNQOVDO-UHFFFAOYSA-N
XLogP0.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide
CID 110788637
2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropanecarboxamide
CID 110788608
2-(3-methoxyphenyl)-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 110788667
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
3-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 110788471
3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115173941
N-[2-(2-methoxyphenyl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768444
6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115207782
N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768453
7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82190756

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide (CID 115152989) is 3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide is NCCC(=O)NCCc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide?
The InChIKey is KDASOTKGNQOVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-7-5-13(18)16-8-6-10-1-3-12-11(9-10)2-4-14(19)17-12/h1,3,9H,2,4-8,15H2,(H,16,18)(H,17,19).
What are the key properties of 3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide?
3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide has a molecular weight of 261.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide is sourced from PubChem (CID 115152989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).