N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide

C18H20N4O2 — CID 97259003

IUPACN-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC[C@H](C)n1nc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1C
InChIInChI=1S/C18H20N4O2/c1-4-11(2)22-12(3)9-16(21-22)20-18(24)14-10-19-15-8-6-5-7-13(15)17(14)23/h5-11H,4H2,1-3H3,(H,19,23)(H,20,21,24)/t11-/m0/s1
InChIKeyFOSPCYLWFFFJPN-NSHDSACASA-N
MW324.38 g/mol
LogP3.26
Rot. Bonds4

About N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide

N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 97259003) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID97259003
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC[C@H](C)n1nc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1C
InChIInChI=1S/C18H20N4O2/c1-4-11(2)22-12(3)9-16(21-22)20-18(24)14-10-19-15-8-6-5-7-13(15)17(14)23/h5-11H,4H2,1-3H3,(H,19,23)(H,20,21,24)/t11-/m0/s1
InChIKeyFOSPCYLWFFFJPN-NSHDSACASA-N
XLogP3.26
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 115767429
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 42562478
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 61246049
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 86983437
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87101826
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 30463952
[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid
CID 126736396

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide (CID 97259003) is N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide is CC[C@H](C)n1nc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1C.
What is the InChIKey of N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is FOSPCYLWFFFJPN-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-11(2)22-12(3)9-16(21-22)20-18(24)14-10-19-15-8-6-5-7-13(15)17(14)23/h5-11H,4H2,1-3H3,(H,19,23)(H,20,21,24)/t11-/m0/s1.
What are the key properties of N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide?
N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 97259003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).