formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

C17H24N2O6 — CID 163334228

IUPACformic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cccc2c1NCCC2.O=CO
InChIInChI=1S/C16H22N2O4.CH2O2/c19-9-13-15(20)12(6-8-22-13)18-16(21)11-5-1-3-10-4-2-7-17-14(10)11;2-1-3/h1,3,5,12-13,15,17,19-20H,2,4,6-9H2,(H,18,21);1H,(H,2,3)/t12-,13+,15-;/m0./s1
InChIKeyMLTSIOCWQMAZTM-HGVXOAKISA-N
MW352.39 g/mol
LogP-0.01
Rot. Bonds3

About formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 163334228) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID163334228
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Nameformic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cccc2c1NCCC2.O=CO
InChIInChI=1S/C16H22N2O4.CH2O2/c19-9-13-15(20)12(6-8-22-13)18-16(21)11-5-1-3-10-4-2-7-17-14(10)11;2-1-3/h1,3,5,12-13,15,17,19-20H,2,4,6-9H2,(H,18,21);1H,(H,2,3)/t12-,13+,15-;/m0./s1
InChIKeyMLTSIOCWQMAZTM-HGVXOAKISA-N
XLogP-0.01
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 5-0.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 163334228) is formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cccc2c1NCCC2.O=CO.
What is the InChIKey of formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is MLTSIOCWQMAZTM-HGVXOAKISA-N. The full InChI is InChI=1S/C16H22N2O4.CH2O2/c19-9-13-15(20)12(6-8-22-13)18-16(21)11-5-1-3-10-4-2-7-17-14(10)11;2-1-3/h1,3,5,12-13,15,17,19-20H,2,4,6-9H2,(H,18,21);1H,(H,2,3)/t12-,13+,15-;/m0./s1.
What are the key properties of formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 352.39 g/mol, XLogP of -0.01, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 163334228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).