6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid

C20H25N3O3 — CID 10832050

IUPAC6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(N2CCCC(C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C20H25N3O3/c1-11-4-3-7-22(9-11)18-12(2)17-14(8-16(18)21)19(24)15(20(25)26)10-23(17)13-5-6-13/h8,10-11,13H,3-7,9,21H2,1-2H3,(H,25,26)
InChIKeyMRLBHFVQGRTBHZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.16
Rot. Bonds3

About 6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid

6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 10832050) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
PubChem CID10832050
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(N2CCCC(C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C20H25N3O3/c1-11-4-3-7-22(9-11)18-12(2)17-14(8-16(18)21)19(24)15(20(25)26)10-23(17)13-5-6-13/h8,10-11,13H,3-7,9,21H2,1-2H3,(H,25,26)
InChIKeyMRLBHFVQGRTBHZ-UHFFFAOYSA-N
XLogP3.16
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-cyclopropyl-8-methyl-4-oxo-7-(4-oxo-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl)quinoline-3-carboxylic acid
CID 46833975
7-[(3S,4S)-4-amino-3-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 69018587
1-cyclopropyl-6-fluoro-8-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14052587
1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11165600
6-amino-1-cyclopropyl-7-[(4E)-4-hydroxyimino-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 46833977
1-cyclopropyl-6-fluoro-7-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11749619
7-[(3S)-3-aminopiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 11047030
7-[(3S,4S)-3-amino-4-ethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid;molecular fluorine
CID 159013020
1-cyclopropyl-6-fluoro-8-methyl-7-[4-(2-methylpropanoyloxymethyl)-3-(propanoyloxymethyl)azepan-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 143016185
1-cyclopropyl-7-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11710485
7-[3-(1-amino-2-cyanoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11773899
1-cyclopropyl-8-methyl-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid
CID 11794531

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid (CID 10832050) is 6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid is Cc1c(N2CCCC(C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MRLBHFVQGRTBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-11-4-3-7-22(9-11)18-12(2)17-14(8-16(18)21)19(24)15(20(25)26)10-23(17)13-5-6-13/h8,10-11,13H,3-7,9,21H2,1-2H3,(H,25,26).
What are the key properties of 6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid?
6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 355.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-8-methyl-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 10832050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).