8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine

C19H17ClN2O3S — CID 24731843

IUPAC8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
SMILESCOc1cccc(S(=O)(=O)N2CCc3nc4ccc(Cl)cc4cc3C2)c1
InChIInChI=1S/C19H17ClN2O3S/c1-25-16-3-2-4-17(11-16)26(23,24)22-8-7-19-14(12-22)9-13-10-15(20)5-6-18(13)21-19/h2-6,9-11H,7-8,12H2,1H3
InChIKeyMGDRLMPLRXLTAQ-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.64
Rot. Bonds3

About 8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine

8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine (PubChem CID 24731843) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine.

Molecular Properties

Compound Name8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
PubChem CID24731843
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
SMILESCOc1cccc(S(=O)(=O)N2CCc3nc4ccc(Cl)cc4cc3C2)c1
InChIInChI=1S/C19H17ClN2O3S/c1-25-16-3-2-4-17(11-16)26(23,24)22-8-7-19-14(12-22)9-13-10-15(20)5-6-18(13)21-19/h2-6,9-11H,7-8,12H2,1H3
InChIKeyMGDRLMPLRXLTAQ-UHFFFAOYSA-N
XLogP3.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
The IUPAC name of 8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine (CID 24731843) is 8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine.
What is the SMILES notation for 8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
The canonical SMILES for 8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine is COc1cccc(S(=O)(=O)N2CCc3nc4ccc(Cl)cc4cc3C2)c1.
What is the InChIKey of 8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
The InChIKey is MGDRLMPLRXLTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-25-16-3-2-4-17(11-16)26(23,24)22-8-7-19-14(12-22)9-13-10-15(20)5-6-18(13)21-19/h2-6,9-11H,7-8,12H2,1H3.
What are the key properties of 8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine has a molecular weight of 388.88 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine is sourced from PubChem (CID 24731843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).