4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid

C24H25FN4O5 — CID 146313915

IUPAC4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid
SMILESCNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(C(=O)O)cc3CN3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C24H25FN4O5/c1-26-18-11-15(25)10-16-20(18)28-23(32)19(21(16)30)22(31)27-17-6-5-13(24(33)34)9-14(17)12-29-7-3-2-4-8-29/h5-6,9-11,26H,2-4,7-8,12H2,1H3,(H,27,31)(H,33,34)(H2,28,30,32)
InChIKeyUGPYVSGYCORXOH-UHFFFAOYSA-N
MW468.49 g/mol
LogP3.35
Rot. Bonds6

About 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid

4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid (PubChem CID 146313915) has the molecular formula C24H25FN4O5 and a molecular weight of 468.49 g/mol. Its IUPAC name is 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid.

Molecular Properties

Compound Name4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid
PubChem CID146313915
Molecular FormulaC24H25FN4O5
Molecular Weight468.49 g/mol
Exact Mass468.18
IUPAC Name4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid
SMILESCNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(C(=O)O)cc3CN3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C24H25FN4O5/c1-26-18-11-15(25)10-16-20(18)28-23(32)19(21(16)30)22(31)27-17-6-5-13(24(33)34)9-14(17)12-29-7-3-2-4-8-29/h5-6,9-11,26H,2-4,7-8,12H2,1H3,(H,27,31)(H,33,34)(H2,28,30,32)
InChIKeyUGPYVSGYCORXOH-UHFFFAOYSA-N
XLogP3.35
TPSA134.76 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 53.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid with MolForge

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Related Compounds

3-[2-[cyclohexyl(methyl)amino]ethyl]-4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
CID 150261862
3-[(dipentylamino)methyl]-4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
CID 146313859
4-[[6-fluoro-4-methoxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]-(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 142435824
1,4,6-trimethyl-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131943063
4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436095
methyl 4-[2-[7-fluoro-1-hydroxy-5-(methylamino)-3-oxo-4H-naphthalen-2-yl]-2-oxoethyl]-3-(piperidin-1-ylmethyl)benzoate
CID 159525477
2-[[8-[(4-bromophenyl)methyl]-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl]amino]acetic acid
CID 69397091
3-[[cyclohexyl(methyl)amino]methyl]-4-[(E)-3-[5-fluoro-7-(methylamino)-1H-indol-3-yl]prop-2-enoyl]benzoic acid
CID 169026798
3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174366
3-[(4-ethylpiperazin-1-yl)methyl]-4-fluorobenzoic acid
CID 63067187
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
3-[(4-fluorophenyl)methyl]-4-[[3-[(4-fluorophenyl)methyl]benzoyl]amino]benzoic acid
CID 11683958

Frequently Asked Questions

What is the IUPAC name of 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid?
The IUPAC name of 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid (CID 146313915) is 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid.
What is the SMILES notation for 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid?
The canonical SMILES for 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid is CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(C(=O)O)cc3CN3CCCCC3)c(=O)[nH]c12.
What is the InChIKey of 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid?
The InChIKey is UGPYVSGYCORXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O5/c1-26-18-11-15(25)10-16-20(18)28-23(32)19(21(16)30)22(31)27-17-6-5-13(24(33)34)9-14(17)12-29-7-3-2-4-8-29/h5-6,9-11,26H,2-4,7-8,12H2,1H3,(H,27,31)(H,33,34)(H2,28,30,32).
What are the key properties of 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid?
4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid has a molecular weight of 468.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid is sourced from PubChem (CID 146313915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).