4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid

C29H24N2O5S — CID 10075131

IUPAC4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNS(=O)(=O)c2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1
InChIInChI=1S/C29H24N2O5S/c32-29(33)23-7-5-20(6-8-23)15-16-30-37(34,35)27-14-11-21-10-13-26(17-24(21)18-27)36-19-25-12-9-22-3-1-2-4-28(22)31-25/h1-14,17-18,30H,15-16,19H2,(H,32,33)
InChIKeyZQINSCREWSCVMP-UHFFFAOYSA-N
MW512.59 g/mol
LogP5.19
Rot. Bonds9

About 4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid

4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid (PubChem CID 10075131) has the molecular formula C29H24N2O5S and a molecular weight of 512.59 g/mol. Its IUPAC name is 4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid
PubChem CID10075131
Molecular FormulaC29H24N2O5S
Molecular Weight512.59 g/mol
Exact Mass512.14
IUPAC Name4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNS(=O)(=O)c2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1
InChIInChI=1S/C29H24N2O5S/c32-29(33)23-7-5-20(6-8-23)15-16-30-37(34,35)27-14-11-21-10-13-26(17-24(21)18-27)36-19-25-12-9-22-3-1-2-4-28(22)31-25/h1-14,17-18,30H,15-16,19H2,(H,32,33)
InChIKeyZQINSCREWSCVMP-UHFFFAOYSA-N
XLogP5.19
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.59
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid with MolForge

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Related Compounds

3-fluoro-4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid
CID 54083461
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
2-naphthalen-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5169529
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide
CID 8815415
[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl] acetate
CID 69110498
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
N-methylsulfonyl-4-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
CID 66579769
2-(3-phenylpentan-3-yl)-4-(quinolin-2-ylmethoxy)benzoic acid
CID 69253282

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid (CID 10075131) is 4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid is O=C(O)c1ccc(CCNS(=O)(=O)c2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1.
What is the InChIKey of 4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid?
The InChIKey is ZQINSCREWSCVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O5S/c32-29(33)23-7-5-20(6-8-23)15-16-30-37(34,35)27-14-11-21-10-13-26(17-24(21)18-27)36-19-25-12-9-22-3-1-2-4-28(22)31-25/h1-14,17-18,30H,15-16,19H2,(H,32,33).
What are the key properties of 4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid?
4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid has a molecular weight of 512.59 g/mol, XLogP of 5.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]sulfonylamino]ethyl]benzoic acid is sourced from PubChem (CID 10075131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).