N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide

C15H16N2O4 — CID 154868176

IUPACN-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCO[C@@H]1COC[C@@H]1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H16N2O4/c1-20-13-8-21-7-12(13)17-15(19)10-6-16-11-5-3-2-4-9(11)14(10)18/h2-6,12-13H,7-8H2,1H3,(H,16,18)(H,17,19)/t12-,13+/m0/s1
InChIKeyLJTLUSJJLWDHPA-QWHCGFSZSA-N
MW288.30 g/mol
LogP0.67
Rot. Bonds3

About N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide

N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 154868176) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID154868176
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCO[C@@H]1COC[C@@H]1NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H16N2O4/c1-20-13-8-21-7-12(13)17-15(19)10-6-16-11-5-3-2-4-9(11)14(10)18/h2-6,12-13H,7-8H2,1H3,(H,16,18)(H,17,19)/t12-,13+/m0/s1
InChIKeyLJTLUSJJLWDHPA-QWHCGFSZSA-N
XLogP0.67
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 104927982
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 78957665
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide
CID 110011778
N-cyano-4-oxo-1H-quinoline-3-carboxamide
CID 79195085
N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 120556070
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 94815210
3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide
CID 91772747
N-(2-propylcyclopropyl)-1H-indole-3-carboxamide
CID 113246085
N-(2-methylpiperidin-3-yl)-1H-indole-3-carboxamide
CID 114694981
1-(4-methoxyoxolan-3-yl)-3-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532863

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide (CID 154868176) is N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide is CO[C@@H]1COC[C@@H]1NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LJTLUSJJLWDHPA-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-13-8-21-7-12(13)17-15(19)10-6-16-11-5-3-2-4-9(11)14(10)18/h2-6,12-13H,7-8H2,1H3,(H,16,18)(H,17,19)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide?
N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxyoxolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 154868176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).