[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C19H16ClN3O3S — CID 75204010

IUPAC[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C19H16ClN3O3S/c20-15-4-1-13(2-5-15)16-12-21-11-14-3-6-17(22-18(14)16)19(24)23-7-9-27(25,26)10-8-23/h1-6,11-12H,7-10H2
InChIKeyYPDKRRUNRKPPSC-UHFFFAOYSA-N
MW401.88 g/mol
LogP2.82
Rot. Bonds2

About [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 75204010) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID75204010
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C19H16ClN3O3S/c20-15-4-1-13(2-5-15)16-12-21-11-14-3-6-17(22-18(14)16)19(24)23-7-9-27(25,26)10-8-23/h1-6,11-12H,7-10H2
InChIKeyYPDKRRUNRKPPSC-UHFFFAOYSA-N
XLogP2.82
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 75204010) is [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is O=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCS(=O)(=O)CC1.
What is the InChIKey of [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is YPDKRRUNRKPPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-15-4-1-13(2-5-15)16-12-21-11-14-3-6-17(22-18(14)16)19(24)23-7-9-27(25,26)10-8-23/h1-6,11-12H,7-10H2.
What are the key properties of [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 401.88 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 75204010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).