2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid

C18H18FN3O4 — CID 142719540

IUPAC2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid
SMILESCN1C(=O)CCc2cc(-c3cncc(OCCNC(=O)O)c3)c(F)cc21
InChIInChI=1S/C18H18FN3O4/c1-22-16-8-15(19)14(7-11(16)2-3-17(22)23)12-6-13(10-20-9-12)26-5-4-21-18(24)25/h6-10,21H,2-5H2,1H3,(H,24,25)
InChIKeyHKKNYJHUULHZTK-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.44
Rot. Bonds5

About 2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid

2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid (PubChem CID 142719540) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid
PubChem CID142719540
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid
SMILESCN1C(=O)CCc2cc(-c3cncc(OCCNC(=O)O)c3)c(F)cc21
InChIInChI=1S/C18H18FN3O4/c1-22-16-8-15(19)14(7-11(16)2-3-17(22)23)12-6-13(10-20-9-12)26-5-4-21-18(24)25/h6-10,21H,2-5H2,1H3,(H,24,25)
InChIKeyHKKNYJHUULHZTK-UHFFFAOYSA-N
XLogP2.44
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-1-methyl-6-[5-[2-(methylamino)ethoxy]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 89439966
N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide
CID 146229376
N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide
CID 89439881
N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 89448537
7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 78320870
N-(2-ethoxyethyl)-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyridine-3-carboxamide
CID 89439796
2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid
CID 141313321
CID 163810007
CID 163810007
6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86679151
N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110428886
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-3-carboxylic acid
CID 167741543
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid?
The IUPAC name of 2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid (CID 142719540) is 2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid.
What is the SMILES notation for 2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid?
The canonical SMILES for 2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid is CN1C(=O)CCc2cc(-c3cncc(OCCNC(=O)O)c3)c(F)cc21.
What is the InChIKey of 2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid?
The InChIKey is HKKNYJHUULHZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c1-22-16-8-15(19)14(7-11(16)2-3-17(22)23)12-6-13(10-20-9-12)26-5-4-21-18(24)25/h6-10,21H,2-5H2,1H3,(H,24,25).
What are the key properties of 2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid?
2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid has a molecular weight of 359.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid is sourced from PubChem (CID 142719540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).