5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C18H17FN4O4 — CID 70786476

IUPAC5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCNC(=O)c1noc2c1CN(C(=O)C1CC(=O)Nc3ccc(F)cc31)CC2
InChIInChI=1S/C18H17FN4O4/c1-20-17(25)16-12-8-23(5-4-14(12)27-22-16)18(26)11-7-15(24)21-13-3-2-9(19)6-10(11)13/h2-3,6,11H,4-5,7-8H2,1H3,(H,20,25)(H,21,24)
InChIKeyJGECZPNYNYLBAH-UHFFFAOYSA-N
MW372.36 g/mol
LogP1.18
Rot. Bonds2

About 5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 70786476) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is 5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID70786476
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCNC(=O)c1noc2c1CN(C(=O)C1CC(=O)Nc3ccc(F)cc31)CC2
InChIInChI=1S/C18H17FN4O4/c1-20-17(25)16-12-8-23(5-4-14(12)27-22-16)18(26)11-7-15(24)21-13-3-2-9(19)6-10(11)13/h2-3,6,11H,4-5,7-8H2,1H3,(H,20,25)(H,21,24)
InChIKeyJGECZPNYNYLBAH-UHFFFAOYSA-N
XLogP1.18
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Related Compounds

6-fluoro-4-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 169416169
(4S)-6-fluoro-4-(4-pyridin-4-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97130056
5-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 97119910
2-ethyl-8-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70704944
N-methyl-5-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 70740416
(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97113259
7-fluoro-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 119539545
(4S)-6-fluoro-4-[4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 97119608
7-fluoro-4-(4-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78843557
4-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 119074358
4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 46570584
6-fluoro-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70764704

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 70786476) is 5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is CNC(=O)c1noc2c1CN(C(=O)C1CC(=O)Nc3ccc(F)cc31)CC2.
What is the InChIKey of 5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is JGECZPNYNYLBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-20-17(25)16-12-8-23(5-4-14(12)27-22-16)18(26)11-7-15(24)21-13-3-2-9(19)6-10(11)13/h2-3,6,11H,4-5,7-8H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 372.36 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 70786476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).