2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine

C14H13N3O3S — CID 169096584

IUPAC2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine
SMILESO=C1CCc2c(-c3cccc(NS(=O)O)c3)ccnc2N1
InChIInChI=1S/C14H13N3O3S/c18-13-5-4-12-11(6-7-15-14(12)16-13)9-2-1-3-10(8-9)17-21(19)20/h1-3,6-8,17H,4-5H2,(H,19,20)(H,15,16,18)
InChIKeyNKOLEAUJYSMZTP-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.18
Rot. Bonds3

About 2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine

2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine (PubChem CID 169096584) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine.

Molecular Properties

Compound Name2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine
PubChem CID169096584
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine
SMILESO=C1CCc2c(-c3cccc(NS(=O)O)c3)ccnc2N1
InChIInChI=1S/C14H13N3O3S/c18-13-5-4-12-11(6-7-15-14(12)16-13)9-2-1-3-10(8-9)17-21(19)20/h1-3,6-8,17H,4-5H2,(H,19,20)(H,15,16,18)
InChIKeyNKOLEAUJYSMZTP-UHFFFAOYSA-N
XLogP2.18
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methylamino] thiohypoiodite
CID 167153013
tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
CID 164563751
5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 135395291
tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate
CID 169003419
1-(sulfinoamino)-3-[4-(trifluoromethyl)phenyl]benzene
CID 69476059
5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163523317
5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride
CID 169003420
N-[3-[3-(2,3-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanesulfinamide
CID 143071890
3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine
CID 169003451
4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 157237216
bis(pyrrolidine-2,5-dione);triazine
CID 157144252
N-[3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]methanesulfinamide
CID 134310849

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine?
The IUPAC name of 2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine (CID 169096584) is 2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine.
What is the SMILES notation for 2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine?
The canonical SMILES for 2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine is O=C1CCc2c(-c3cccc(NS(=O)O)c3)ccnc2N1.
What is the InChIKey of 2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine?
The InChIKey is NKOLEAUJYSMZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c18-13-5-4-12-11(6-7-15-14(12)16-13)9-2-1-3-10(8-9)17-21(19)20/h1-3,6-8,17H,4-5H2,(H,19,20)(H,15,16,18).
What are the key properties of 2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine?
2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine has a molecular weight of 303.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine is sourced from PubChem (CID 169096584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).