1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine

C16H15N3O3S — CID 169096609

IUPAC1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine
SMILESCn1c(=O)ccc2c(-c3ccc(CNS(=O)O)cc3)ccnc21
InChIInChI=1S/C16H15N3O3S/c1-19-15(20)7-6-14-13(8-9-17-16(14)19)12-4-2-11(3-5-12)10-18-23(21)22/h2-9,18H,10H2,1H3,(H,21,22)
InChIKeyVIIIJXTZQUMYFH-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.83
Rot. Bonds4

About 1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine

1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine (PubChem CID 169096609) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine.

Molecular Properties

Compound Name1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine
PubChem CID169096609
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine
SMILESCn1c(=O)ccc2c(-c3ccc(CNS(=O)O)cc3)ccnc21
InChIInChI=1S/C16H15N3O3S/c1-19-15(20)7-6-14-13(8-9-17-16(14)19)12-4-2-11(3-5-12)10-18-23(21)22/h2-9,18H,10H2,1H3,(H,21,22)
InChIKeyVIIIJXTZQUMYFH-UHFFFAOYSA-N
XLogP1.83
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine?
The IUPAC name of 1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine (CID 169096609) is 1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine.
What is the SMILES notation for 1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine?
The canonical SMILES for 1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine is Cn1c(=O)ccc2c(-c3ccc(CNS(=O)O)cc3)ccnc21.
What is the InChIKey of 1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine?
The InChIKey is VIIIJXTZQUMYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-19-15(20)7-6-14-13(8-9-17-16(14)19)12-4-2-11(3-5-12)10-18-23(21)22/h2-9,18H,10H2,1H3,(H,21,22).
What are the key properties of 1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine?
1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine has a molecular weight of 329.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine is sourced from PubChem (CID 169096609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).