1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid

C19H21F2N3O3 — CID 10785808

IUPAC1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(F)c(NCC3CCCCN3)c(F)cc2c1=O
InChIInChI=1S/C19H21F2N3O3/c20-14-7-12-17(15(21)16(14)23-8-10-3-1-2-6-22-10)24(11-4-5-11)9-13(18(12)25)19(26)27/h7,9-11,22-23H,1-6,8H2,(H,26,27)
InChIKeyIMEISKUVYCKVCA-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.87
Rot. Bonds5

About 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid

1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid (PubChem CID 10785808) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid
PubChem CID10785808
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC Name1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(F)c(NCC3CCCCN3)c(F)cc2c1=O
InChIInChI=1S/C19H21F2N3O3/c20-14-7-12-17(15(21)16(14)23-8-10-3-1-2-6-22-10)24(11-4-5-11)9-13(18(12)25)19(26)27/h7,9-11,22-23H,1-6,8H2,(H,26,27)
InChIKeyIMEISKUVYCKVCA-UHFFFAOYSA-N
XLogP2.87
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 122197409
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 143715301
1-cyclopropyl-6,8-difluoro-7-(4-methylimidazol-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14476717
1-cyclopropyl-7-(3-ethyl-3-hydroxyazetidin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10067318
7-[(4aR,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 124668831
1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride
CID 45261882
7-(3-amino-2,2-dimethylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10021592
1-cyclopropyl-7-[(2S,3S)-2-ethyl-3-hydroxyazetidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10090157
7-(2-aminopropoxy)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14846355

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid (CID 10785808) is 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(F)c(NCC3CCCCN3)c(F)cc2c1=O.
What is the InChIKey of 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid?
The InChIKey is IMEISKUVYCKVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c20-14-7-12-17(15(21)16(14)23-8-10-3-1-2-6-22-10)24(11-4-5-11)9-13(18(12)25)19(26)27/h7,9-11,22-23H,1-6,8H2,(H,26,27).
What are the key properties of 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid?
1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid has a molecular weight of 377.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 10785808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).