N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide

C18H22N2O5 — CID 175655125

IUPACN-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCO[C@H]1[C@H](CNC(=O)c2cc3ccccc3[nH]c2=O)COC[C@H]1OC
InChIInChI=1S/C18H22N2O5/c1-23-15-10-25-9-12(16(15)24-2)8-19-17(21)13-7-11-5-3-4-6-14(11)20-18(13)22/h3-7,12,15-16H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t12-,15-,16+/m1/s1
InChIKeyNJFNQFROFJAFDW-WQVCFCJDSA-N
MW346.38 g/mol
LogP0.93
Rot. Bonds5

About N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide

N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 175655125) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID175655125
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCO[C@H]1[C@H](CNC(=O)c2cc3ccccc3[nH]c2=O)COC[C@H]1OC
InChIInChI=1S/C18H22N2O5/c1-23-15-10-25-9-12(16(15)24-2)8-19-17(21)13-7-11-5-3-4-6-14(11)20-18(13)22/h3-7,12,15-16H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t12-,15-,16+/m1/s1
InChIKeyNJFNQFROFJAFDW-WQVCFCJDSA-N
XLogP0.93
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide
CID 155996183
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 86287174
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 120650317
N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731587
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 94812474
2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320
2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid
CID 122126262
N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613259
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 110166183

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide (CID 175655125) is N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide is CO[C@H]1[C@H](CNC(=O)c2cc3ccccc3[nH]c2=O)COC[C@H]1OC.
What is the InChIKey of N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is NJFNQFROFJAFDW-WQVCFCJDSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-23-15-10-25-9-12(16(15)24-2)8-19-17(21)13-7-11-5-3-4-6-14(11)20-18(13)22/h3-7,12,15-16H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t12-,15-,16+/m1/s1.
What are the key properties of N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 175655125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).