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

C16H15N3O3S — CID 154630885

IUPAC2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine
SMILESCOc1ccc2c(-c3ccc(CNS(=O)O)cc3)ccnc2n1
InChIInChI=1S/C16H15N3O3S/c1-22-15-7-6-14-13(8-9-17-16(14)19-15)12-4-2-11(3-5-12)10-18-23(20)21/h2-9,18H,10H2,1H3,(H,20,21)
InChIKeyLXYRJMKDQSICCF-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.53
Rot. Bonds5

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

2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine (PubChem CID 154630885) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine
PubChem CID154630885
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine
SMILESCOc1ccc2c(-c3ccc(CNS(=O)O)cc3)ccnc2n1
InChIInChI=1S/C16H15N3O3S/c1-22-15-7-6-14-13(8-9-17-16(14)19-15)12-4-2-11(3-5-12)10-18-23(20)21/h2-9,18H,10H2,1H3,(H,20,21)
InChIKeyLXYRJMKDQSICCF-UHFFFAOYSA-N
XLogP2.53
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine?
The IUPAC name of 2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine (CID 154630885) is 2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine.
What is the SMILES notation for 2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine?
The canonical SMILES for 2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine is COc1ccc2c(-c3ccc(CNS(=O)O)cc3)ccnc2n1.
What is the InChIKey of 2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine?
The InChIKey is LXYRJMKDQSICCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-22-15-7-6-14-13(8-9-17-16(14)19-15)12-4-2-11(3-5-12)10-18-23(20)21/h2-9,18H,10H2,1H3,(H,20,21).
What are the key properties of 2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine?
2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine has a molecular weight of 329.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine is sourced from PubChem (CID 154630885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).