N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide

C19H24N2O3 — CID 94815210

IUPACN-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESC[C@H]1CCCC[C@H]1OCCNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C19H24N2O3/c1-13-6-2-5-9-17(13)24-11-10-20-19(23)15-12-21-16-8-4-3-7-14(16)18(15)22/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3,(H,20,23)(H,21,22)/t13-,17+/m0/s1
InChIKeyGDANSLHSQZHJBF-SUMWQHHRSA-N
MW328.41 g/mol
LogP2.85
Rot. Bonds5

About N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 94815210) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID94815210
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESC[C@H]1CCCC[C@H]1OCCNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C19H24N2O3/c1-13-6-2-5-9-17(13)24-11-10-20-19(23)15-12-21-16-8-4-3-7-14(16)18(15)22/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3,(H,20,23)(H,21,22)/t13-,17+/m0/s1
InChIKeyGDANSLHSQZHJBF-SUMWQHHRSA-N
XLogP2.85
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 94121849
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
3-bromo-1-methyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]indole-2-carboxamide
CID 52538277
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95091675
N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 104927982
6-(furan-2-yl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977413
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide
CID 95593788
6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide
CID 71892495
N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 120556070
1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 47034705
5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide
CID 55779851

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 94815210) is N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide is C[C@H]1CCCC[C@H]1OCCNC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GDANSLHSQZHJBF-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-6-2-5-9-17(13)24-11-10-20-19(23)15-12-21-16-8-4-3-7-14(16)18(15)22/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3,(H,20,23)(H,21,22)/t13-,17+/m0/s1.
What are the key properties of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 94815210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).