1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one

C13H13N3OS — CID 88624545

IUPAC1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one
SMILESCc1nc2c(c3cccnc13)C(C)(S)CC(=O)N2
InChIInChI=1S/C13H13N3OS/c1-7-11-8(4-3-5-14-11)10-12(15-7)16-9(17)6-13(10,2)18/h3-5,18H,6H2,1-2H3,(H,15,16,17)
InChIKeyDPDJWFMTUOZUHX-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.43
Rot. Bonds

About 1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one

1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one (PubChem CID 88624545) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one.

Molecular Properties

Compound Name1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one
PubChem CID88624545
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one
SMILESCc1nc2c(c3cccnc13)C(C)(S)CC(=O)N2
InChIInChI=1S/C13H13N3OS/c1-7-11-8(4-3-5-14-11)10-12(15-7)16-9(17)6-13(10,2)18/h3-5,18H,6H2,1-2H3,(H,15,16,17)
InChIKeyDPDJWFMTUOZUHX-UHFFFAOYSA-N
XLogP2.43
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one?
The IUPAC name of 1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one (CID 88624545) is 1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one.
What is the SMILES notation for 1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one?
The canonical SMILES for 1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one is Cc1nc2c(c3cccnc13)C(C)(S)CC(=O)N2.
What is the InChIKey of 1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one?
The InChIKey is DPDJWFMTUOZUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-7-11-8(4-3-5-14-11)10-12(15-7)16-9(17)6-13(10,2)18/h3-5,18H,6H2,1-2H3,(H,15,16,17).
What are the key properties of 1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one?
1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one has a molecular weight of 259.33 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-1-sulfanyl-2,4-dihydropyrido[3,2-f][1,8]naphthyridin-3-one is sourced from PubChem (CID 88624545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).