6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C18H22N4O3 — CID 70758337

IUPAC6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc2c(c1)C(C(=O)N(C)CCc1cnn(C)c1)CC(=O)N2
InChIInChI=1S/C18H22N4O3/c1-21(7-6-12-10-19-22(2)11-12)18(24)15-9-17(23)20-16-5-4-13(25-3)8-14(15)16/h4-5,8,10-11,15H,6-7,9H2,1-3H3,(H,20,23)
InChIKeyLFPVLPUAULHBAI-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.56
Rot. Bonds5

About 6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 70758337) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID70758337
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc2c(c1)C(C(=O)N(C)CCc1cnn(C)c1)CC(=O)N2
InChIInChI=1S/C18H22N4O3/c1-21(7-6-12-10-19-22(2)11-12)18(24)15-9-17(23)20-16-5-4-13(25-3)8-14(15)16/h4-5,8,10-11,15H,6-7,9H2,1-3H3,(H,20,23)
InChIKeyLFPVLPUAULHBAI-UHFFFAOYSA-N
XLogP1.56
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 59004228
2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)-4-quinolinecarboxamide
CID 19582704
N-(3'-methoxy-4-biphenylyl)-1-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinecarboxamide
CID 24790065
N-(3'-methoxy-4-biphenylyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24817668
3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 24818848
1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-(3'-methoxy-4-biphenylyl)-3-piperidinecarboxamide
CID 24818983
1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(3'-methoxy-3-biphenylyl)-4-piperidinecarboxamide
CID 24790359
1-(3-methoxybenzyl)-N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817121
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 45223242
1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(3'-methoxy-4-biphenylyl)-3-piperidinecarboxamide
CID 24790114
1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 24817445
N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 70758337) is 6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is COc1ccc2c(c1)C(C(=O)N(C)CCc1cnn(C)c1)CC(=O)N2.
What is the InChIKey of 6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is LFPVLPUAULHBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21(7-6-12-10-19-22(2)11-12)18(24)15-9-17(23)20-16-5-4-13(25-3)8-14(15)16/h4-5,8,10-11,15H,6-7,9H2,1-3H3,(H,20,23).
What are the key properties of 6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 70758337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).