2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

C22H31N3O3 — CID 3240625

IUPAC2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCCn1c(=O)cc(OCC(=O)NCCCN2CCC(C)CC2)c2ccccc21
InChIInChI=1S/C22H31N3O3/c1-3-25-19-8-5-4-7-18(19)20(15-22(25)27)28-16-21(26)23-11-6-12-24-13-9-17(2)10-14-24/h4-5,7-8,15,17H,3,6,9-14,16H2,1-2H3,(H,23,26)
InChIKeyLJLKAWRXUYJQTB-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.64
Rot. Bonds8

About 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 3240625) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
PubChem CID3240625
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCCn1c(=O)cc(OCC(=O)NCCCN2CCC(C)CC2)c2ccccc21
InChIInChI=1S/C22H31N3O3/c1-3-25-19-8-5-4-7-18(19)20(15-22(25)27)28-16-21(26)23-11-6-12-24-13-9-17(2)10-14-24/h4-5,7-8,15,17H,3,6,9-14,16H2,1-2H3,(H,23,26)
InChIKeyLJLKAWRXUYJQTB-UHFFFAOYSA-N
XLogP2.64
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide with MolForge

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Related Compounds

2-Methyl-6-propyl-4,6-dihydro-2H-[1,4]oxazino[3,2-c]quinoline-3,5-dione
CID 615579
4-(3-Methylbut-2-enoxy)quinolin-2-ol
CID 21770009
(+)-2,6-Dihydro-2,6-dimethyl-2-(4-methyl-3-penten-1-yl)-5H-pyrano[3,2-c]quinolin-5-one
CID 5315426
N-Methylschinifoline
CID 101652163
4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one
CID 503392
N-(4-fluorophenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
CID 16008124
4-(Benzyloxy)-1-(4-{[2-(diethylamino)ethyl]amino}phenyl)pyridin-2(1H)-one
CID 53318594
2(1H)-Quinolinone, 3-(3-methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]-
CID 4556
N-cyclopentyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 3235983
N-(3-chlorophenyl)-N-ethyl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 3236055
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 3237244
Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetyl}piperazine-1-carboxylate
CID 3238108

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (CID 3240625) is 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is CCn1c(=O)cc(OCC(=O)NCCCN2CCC(C)CC2)c2ccccc21.
What is the InChIKey of 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is LJLKAWRXUYJQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-25-19-8-5-4-7-18(19)20(15-22(25)27)28-16-21(26)23-11-6-12-24-13-9-17(2)10-14-24/h4-5,7-8,15,17H,3,6,9-14,16H2,1-2H3,(H,23,26).
What are the key properties of 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 3240625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).