N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide

C19H22N4O2 — CID 146142936

IUPACN-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCn1cc(N(CC(C)C)C(=O)c2c[nH]c3ccccc3c2=O)cn1
InChIInChI=1S/C19H22N4O2/c1-4-22-12-14(9-21-22)23(11-13(2)3)19(25)16-10-20-17-8-6-5-7-15(17)18(16)24/h5-10,12-13H,4,11H2,1-3H3,(H,20,24)
InChIKeyFGZCWZPPYIZSLU-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.05
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide

N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 146142936) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID146142936
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCn1cc(N(CC(C)C)C(=O)c2c[nH]c3ccccc3c2=O)cn1
InChIInChI=1S/C19H22N4O2/c1-4-22-12-14(9-21-22)23(11-13(2)3)19(25)16-10-20-17-8-6-5-7-15(17)18(16)24/h5-10,12-13H,4,11H2,1-3H3,(H,20,24)
InChIKeyFGZCWZPPYIZSLU-UHFFFAOYSA-N
XLogP3.05
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121014787
2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 61021751
N,4-dioxo-1H-quinoline-3-carboxamide
CID 118327935
N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 111485393
N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60508476
N-ethyl-N-(4-fluorophenyl)-1H-indole-3-carboxamide
CID 60661185
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 61246049
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95091675
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 97259003
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 42562478

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide (CID 146142936) is N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide is CCn1cc(N(CC(C)C)C(=O)c2c[nH]c3ccccc3c2=O)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is FGZCWZPPYIZSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-22-12-14(9-21-22)23(11-13(2)3)19(25)16-10-20-17-8-6-5-7-15(17)18(16)24/h5-10,12-13H,4,11H2,1-3H3,(H,20,24).
What are the key properties of N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide?
N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-N-(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 146142936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).