6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid

C18H18FN5O3 — CID 162653166

IUPAC6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(F)c(N3CCCCC3)c3n[nH]nc3c2c1=O
InChIInChI=1S/C18H18FN5O3/c19-12-15-11(17(25)10(18(26)27)8-24(15)9-4-5-9)13-14(21-22-20-13)16(12)23-6-2-1-3-7-23/h8-9H,1-7H2,(H,26,27)(H,20,21,22)
InChIKeyVRUVLXMBXYLIMM-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.44
Rot. Bonds3

About 6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid

6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid (PubChem CID 162653166) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
PubChem CID162653166
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(F)c(N3CCCCC3)c3n[nH]nc3c2c1=O
InChIInChI=1S/C18H18FN5O3/c19-12-15-11(17(25)10(18(26)27)8-24(15)9-4-5-9)13-14(21-22-20-13)16(12)23-6-2-1-3-7-23/h8-9H,1-7H2,(H,26,27)(H,20,21,22)
InChIKeyVRUVLXMBXYLIMM-UHFFFAOYSA-N
XLogP2.44
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 162671878
5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 10549131
1-cyclopropyl-6,8-difluoro-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14651171
5-amino-7-(3-aminoazepan-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 11741218
1-cyclopropyl-6,8-difluoro-5-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
CID 14651197
5-amino-1-cyclopropyl-6,8-difluoro-7-(4-nitrosopiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 54405165
1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 10000645
1-cyclopropyl-5-(dimethylamino)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14006871
5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[(3R)-3-(2H-triazol-4-yl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 54429967
5-amino-1-cyclopropyl-8-fluoro-6-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 142629253
5-amino-1-cyclopropyl-7-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 1398733
5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-(18F)fluoro-8-fluoro-4-oxoquinoline-3-carboxylic acid
CID 11618070

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The IUPAC name of 6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid (CID 162653166) is 6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(F)c(N3CCCCC3)c3n[nH]nc3c2c1=O.
What is the InChIKey of 6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The InChIKey is VRUVLXMBXYLIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c19-12-15-11(17(25)10(18(26)27)8-24(15)9-4-5-9)13-14(21-22-20-13)16(12)23-6-2-1-3-7-23/h8-9H,1-7H2,(H,26,27)(H,20,21,22).
What are the key properties of 6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid has a molecular weight of 371.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid is sourced from PubChem (CID 162653166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).