7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

C20H25N3O4 — CID 70278208

IUPAC7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1c(N2CCC(C)C(N)C2)c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C20H25N3O4/c1-10-5-6-23(9-15(10)21)17-12(11-3-4-11)7-13-16(19(17)27-2)22-8-14(18(13)24)20(25)26/h7-8,10-11,15H,3-6,9,21H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyDUWYOZMXLFJUGM-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.29
Rot. Bonds4

About 7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid

7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 70278208) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID70278208
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1c(N2CCC(C)C(N)C2)c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C20H25N3O4/c1-10-5-6-23(9-15(10)21)17-12(11-3-4-11)7-13-16(19(17)27-2)22-8-14(18(13)24)20(25)26/h7-8,10-11,15H,3-6,9,21H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyDUWYOZMXLFJUGM-UHFFFAOYSA-N
XLogP2.29
TPSA108.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-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

6-cyclopropyl-7-[2,5-diethyl-2-(methylaminomethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 67100081
7-(4-amino-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid;hydrochloride
CID 70116904
7-(4-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 70116438
7-(7-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-2-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 70114462
6-cyclopropyl-8-methoxy-4-oxo-7-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-quinoline-3-carboxylic acid
CID 70115381
7-[(3S,4R)-3-amino-4-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 69059595
6-cyclopropyl-7-(7-hydroxy-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 70115433
7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 67795100
7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 11186310
7-[(3S,4S)-4-amino-3-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 69019025
7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-3-hydroxy-8-methoxy-4-oxoquinoline-2-carboxylic acid
CID 54731442
6-cyclopropyl-7-[4-[(4-fluorophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 70116765

Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid (CID 70278208) is 7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is COc1c(N2CCC(C)C(N)C2)c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c12.
What is the InChIKey of 7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is DUWYOZMXLFJUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-10-5-6-23(9-15(10)21)17-12(11-3-4-11)7-13-16(19(17)27-2)22-8-14(18(13)24)20(25)26/h7-8,10-11,15H,3-6,9,21H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid?
7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 70278208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).