3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine

C18H15ClFN3O2S — CID 24732783

IUPAC3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCc2nc3ncc(Cl)cc3cc2C1
InChIInChI=1S/C18H15ClFN3O2S/c1-11-2-3-15(20)8-17(11)26(24,25)23-5-4-16-13(10-23)6-12-7-14(19)9-21-18(12)22-16/h2-3,6-9H,4-5,10H2,1H3
InChIKeyQDZSPUTWRBPIKK-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.48
Rot. Bonds2

About 3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine

3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine (PubChem CID 24732783) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is 3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
PubChem CID24732783
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC Name3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCc2nc3ncc(Cl)cc3cc2C1
InChIInChI=1S/C18H15ClFN3O2S/c1-11-2-3-15(20)8-17(11)26(24,25)23-5-4-16-13(10-23)6-12-7-14(19)9-21-18(12)22-16/h2-3,6-9H,4-5,10H2,1H3
InChIKeyQDZSPUTWRBPIKK-UHFFFAOYSA-N
XLogP3.48
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The IUPAC name of 3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine (CID 24732783) is 3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine.
What is the SMILES notation for 3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The canonical SMILES for 3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine is Cc1ccc(F)cc1S(=O)(=O)N1CCc2nc3ncc(Cl)cc3cc2C1.
What is the InChIKey of 3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The InChIKey is QDZSPUTWRBPIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c1-11-2-3-15(20)8-17(11)26(24,25)23-5-4-16-13(10-23)6-12-7-14(19)9-21-18(12)22-16/h2-3,6-9H,4-5,10H2,1H3.
What are the key properties of 3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine has a molecular weight of 391.86 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(5-fluoro-2-methylphenyl)sulfonyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine is sourced from PubChem (CID 24732783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).