[8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium

C14H20N3O5+ — CID 123638202

IUPAC[8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium
SMILESCO[N+](=O)c1cnc2c(c1)N(C(=O)OC(C)(C)C)CCC2O
InChIInChI=1S/C14H20N3O5/c1-14(2,3)22-13(19)16-6-5-11(18)12-10(16)7-9(8-15-12)17(20)21-4/h7-8,11,18H,5-6H2,1-4H3/q+1
InChIKeyUXHUWCWFKXPEQV-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.23
Rot. Bonds2

About [8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium

[8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium (PubChem CID 123638202) has the molecular formula C14H20N3O5+ and a molecular weight of 310.33 g/mol. Its IUPAC name is [8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium.

Molecular Properties

Compound Name[8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium
PubChem CID123638202
Molecular FormulaC14H20N3O5+
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC Name[8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium
SMILESCO[N+](=O)c1cnc2c(c1)N(C(=O)OC(C)(C)C)CCC2O
InChIInChI=1S/C14H20N3O5/c1-14(2,3)22-13(19)16-6-5-11(18)12-10(16)7-9(8-15-12)17(20)21-4/h7-8,11,18H,5-6H2,1-4H3/q+1
InChIKeyUXHUWCWFKXPEQV-UHFFFAOYSA-N
XLogP2.23
TPSA91.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl 6-bromo-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 121207730
tert-butyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyrrolidine-1-carboxylate
CID 145296635
tert-butyl 4,4-dimethyl-7-nitro-2,3-dihydroquinoline-1-carboxylate
CID 57470253
methoxy-[5-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]-oxoazanium
CID 156735964
tert-butyl 4-(3-acetyloxy-5-fluoro-2-pyridinyl)piperidine-1-carboxylate
CID 59505097
1-O-tert-butyl 4-O-methyl 7-chloro-6-fluoro-3,4-dihydro-2H-quinoline-1,4-dicarboxylate
CID 170903339
7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83764036
tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate
CID 67438470
tert-butyl 6-bromo-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylate
CID 70980192
tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 86337029
tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 155571856

Frequently Asked Questions

What is the IUPAC name of [8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium?
The IUPAC name of [8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium (CID 123638202) is [8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium.
What is the SMILES notation for [8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium?
The canonical SMILES for [8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium is CO[N+](=O)c1cnc2c(c1)N(C(=O)OC(C)(C)C)CCC2O.
What is the InChIKey of [8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium?
The InChIKey is UXHUWCWFKXPEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N3O5/c1-14(2,3)22-13(19)16-6-5-11(18)12-10(16)7-9(8-15-12)17(20)21-4/h7-8,11,18H,5-6H2,1-4H3/q+1.
What are the key properties of [8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium?
[8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium has a molecular weight of 310.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-methoxy-oxoazanium is sourced from PubChem (CID 123638202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).