5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid

C19H20ClN5O3 — CID 162671878

IUPAC5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
SMILESCC1CCN(c2c(Cl)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)CC1
InChIInChI=1S/C19H20ClN5O3/c1-9-4-6-24(7-5-9)17-13(20)16-12(14-15(17)22-23-21-14)18(26)11(19(27)28)8-25(16)10-2-3-10/h8-10H,2-7H2,1H3,(H,27,28)(H,21,22,23)
InChIKeyOVHHHVIWMJKEJF-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.20
Rot. Bonds3

About 5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid

5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid (PubChem CID 162671878) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is 5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
PubChem CID162671878
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC Name5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
SMILESCC1CCN(c2c(Cl)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)CC1
InChIInChI=1S/C19H20ClN5O3/c1-9-4-6-24(7-5-9)17-13(20)16-12(14-15(17)22-23-21-14)18(26)11(19(27)28)8-25(16)10-2-3-10/h8-10H,2-7H2,1H3,(H,27,28)(H,21,22,23)
InChIKeyOVHHHVIWMJKEJF-UHFFFAOYSA-N
XLogP3.20
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-cyclopropyl-4-(4-methylpiperazin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 10549131
6-cyclopropyl-5-fluoro-9-oxo-4-piperidin-1-yl-2H-triazolo[4,5-f]quinoline-8-carboxylic acid
CID 162653166
8-chloro-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 14651175
8-chloro-1-cyclopropyl-6-fluoro-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14651176
5-chloro-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14664183
5-amino-7-(4-amino-3,3-dimethylpyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 139625009
1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 10000645
5-amino-7-(3-amino-4-methoxypyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 19820623
5-amino-7-(3-aminoazepan-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 15298474
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
1-cyclopropyl-6,8-difluoro-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14651171

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The IUPAC name of 5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid (CID 162671878) is 5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid.
What is the SMILES notation for 5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The canonical SMILES for 5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid is CC1CCN(c2c(Cl)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3n[nH]nc23)CC1.
What is the InChIKey of 5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
The InChIKey is OVHHHVIWMJKEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c1-9-4-6-24(7-5-9)17-13(20)16-12(14-15(17)22-23-21-14)18(26)11(19(27)28)8-25(16)10-2-3-10/h8-10H,2-7H2,1H3,(H,27,28)(H,21,22,23).
What are the key properties of 5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid?
5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid has a molecular weight of 401.85 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopropyl-4-(4-methylpiperidin-1-yl)-9-oxo-2H-triazolo[4,5-f]quinoline-8-carboxylic acid is sourced from PubChem (CID 162671878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).