[1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate

C25H20N4O5S — CID 57383378

IUPAC[1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate
SMILESO=C(OC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C1)c1ccccn1
InChIInChI=1S/C25H20N4O5S/c30-24(29-15-20(16-29)34-25(31)21-7-1-2-13-26-21)18-9-11-19(12-10-18)28-35(32,33)22-8-3-5-17-6-4-14-27-23(17)22/h1-14,20,28H,15-16H2
InChIKeyXGEFTTJYKCNMSU-UHFFFAOYSA-N
MW488.53 g/mol
LogP3.11
Rot. Bonds6

About [1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate

[1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate (PubChem CID 57383378) has the molecular formula C25H20N4O5S and a molecular weight of 488.53 g/mol. Its IUPAC name is [1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate
PubChem CID57383378
Molecular FormulaC25H20N4O5S
Molecular Weight488.53 g/mol
Exact Mass488.12
IUPAC Name[1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate
SMILESO=C(OC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C1)c1ccccn1
InChIInChI=1S/C25H20N4O5S/c30-24(29-15-20(16-29)34-25(31)21-7-1-2-13-26-21)18-9-11-19(12-10-18)28-35(32,33)22-8-3-5-17-6-4-14-27-23(17)22/h1-14,20,28H,15-16H2
InChIKeyXGEFTTJYKCNMSU-UHFFFAOYSA-N
XLogP3.11
TPSA118.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate with MolForge

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Related Compounds

cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 7573617
2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide
CID 174899545
bis(N-[4-(piperazin-4-ium-1-carbonyl)phenyl]quinoline-8-sulfonamide);sulfate;trihydrate
CID 169133059
oxolan-3-yl 4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 59634750
N-[4-[4-(2-fluoro-3-iodobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 163609644
N-[4-[4-(2-ethylphenyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635273
bis(N-[4-[4-(cyclopropylmethyl)piperazin-4-ium-1-carbonyl]phenyl]quinoline-8-sulfonamide);sulfate
CID 169002556
N-[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;sulfuric acid;hydrate
CID 171360792
bis(N-[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide);sulfuric acid;trihydrate
CID 134693700
[1-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]azetidin-3-yl] 2-pyridin-2-ylacetate
CID 148521070
2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 121157276
N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635215

Frequently Asked Questions

What is the IUPAC name of [1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate?
The IUPAC name of [1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate (CID 57383378) is [1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate.
What is the SMILES notation for [1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate?
The canonical SMILES for [1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate is O=C(OC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)C1)c1ccccn1.
What is the InChIKey of [1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate?
The InChIKey is XGEFTTJYKCNMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O5S/c30-24(29-15-20(16-29)34-25(31)21-7-1-2-13-26-21)18-9-11-19(12-10-18)28-35(32,33)22-8-3-5-17-6-4-14-27-23(17)22/h1-14,20,28H,15-16H2.
What are the key properties of [1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate?
[1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate has a molecular weight of 488.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate is sourced from PubChem (CID 57383378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).