2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid

C24H19FN4O4S — CID 68879608

IUPAC2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)ccc1F
InChIInChI=1S/C24H19FN4O4S/c25-21-6-5-18(12-20(21)24(30)31)34(32,33)29-10-8-19-16(14-29)7-9-26-23(19)28-17-11-15-3-1-2-4-22(15)27-13-17/h1-7,9,11-13H,8,10,14H2,(H,26,28)(H,30,31)
InChIKeyBXWQYEDEIADLNX-UHFFFAOYSA-N
MW478.51 g/mol
LogP3.96
Rot. Bonds5

About 2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid

2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid (PubChem CID 68879608) has the molecular formula C24H19FN4O4S and a molecular weight of 478.51 g/mol. Its IUPAC name is 2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid
PubChem CID68879608
Molecular FormulaC24H19FN4O4S
Molecular Weight478.51 g/mol
Exact Mass478.11
IUPAC Name2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)ccc1F
InChIInChI=1S/C24H19FN4O4S/c25-21-6-5-18(12-20(21)24(30)31)34(32,33)29-10-8-19-16(14-29)7-9-26-23(19)28-17-11-15-3-1-2-4-22(15)27-13-17/h1-7,9,11-13H,8,10,14H2,(H,26,28)(H,30,31)
InChIKeyBXWQYEDEIADLNX-UHFFFAOYSA-N
XLogP3.96
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid with MolForge

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Related Compounds

6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68848416
6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68844408
N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68845559
6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68847177
4-chloro-2-methoxy-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid
CID 68879283
6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68844013
6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42643599
6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 87597530
6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68880661
6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42643852
6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 91295650
6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42645725

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid (CID 68879608) is 2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid?
The InChIKey is BXWQYEDEIADLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4S/c25-21-6-5-18(12-20(21)24(30)31)34(32,33)29-10-8-19-16(14-29)7-9-26-23(19)28-17-11-15-3-1-2-4-22(15)27-13-17/h1-7,9,11-13H,8,10,14H2,(H,26,28)(H,30,31).
What are the key properties of 2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid?
2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid has a molecular weight of 478.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid is sourced from PubChem (CID 68879608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).