2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine

C16H15N4O3S- — CID 155099868

IUPAC2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine
SMILESCOc1ccc2c(NCc3ccc(NS(=O)[O-])cc3)ccnc2n1
InChIInChI=1S/C16H16N4O3S/c1-23-15-7-6-13-14(8-9-17-16(13)19-15)18-10-11-2-4-12(5-3-11)20-24(21)22/h2-9,20H,10H2,1H3,(H,21,22)(H,17,18,19)/p-1
InChIKeyBRCQHEXNMANUDT-UHFFFAOYSA-M
MW343.39 g/mol
LogP2.46
Rot. Bonds6

About 2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine

2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine (PubChem CID 155099868) has the molecular formula C16H15N4O3S- and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine.

Molecular Properties

Compound Name2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine
PubChem CID155099868
Molecular FormulaC16H15N4O3S-
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC Name2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine
SMILESCOc1ccc2c(NCc3ccc(NS(=O)[O-])cc3)ccnc2n1
InChIInChI=1S/C16H16N4O3S/c1-23-15-7-6-13-14(8-9-17-16(13)19-15)18-10-11-2-4-12(5-3-11)20-24(21)22/h2-9,20H,10H2,1H3,(H,21,22)(H,17,18,19)/p-1
InChIKeyBRCQHEXNMANUDT-UHFFFAOYSA-M
XLogP2.46
TPSA99.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine
CID 154630885
4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide
CID 166845406
N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide
CID 172515954
N-[(4-methoxyphenyl)methyl]-6-methylquinolin-4-amine
CID 133466915
6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 19874084
N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine
CID 135060180
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
8-methoxy-N-[(4-methylphenyl)methyl]quinolin-4-amine
CID 178086355
2-[3-fluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]-N-hydroxyacetamide
CID 172515971
N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
CID 166633819
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine
CID 166230144
(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol
CID 94197015

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine?
The IUPAC name of 2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine (CID 155099868) is 2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine.
What is the SMILES notation for 2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine?
The canonical SMILES for 2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine is COc1ccc2c(NCc3ccc(NS(=O)[O-])cc3)ccnc2n1.
What is the InChIKey of 2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine?
The InChIKey is BRCQHEXNMANUDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N4O3S/c1-23-15-7-6-13-14(8-9-17-16(13)19-15)18-10-11-2-4-12(5-3-11)20-24(21)22/h2-9,20H,10H2,1H3,(H,21,22)(H,17,18,19)/p-1.
What are the key properties of 2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine?
2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine has a molecular weight of 343.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine is sourced from PubChem (CID 155099868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).