N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide

C19H22N4O2 — CID 94732187

IUPACN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)c2cc3ccccc3[nH]c2=O)n1
InChIInChI=1S/C19H22N4O2/c1-12(11-23-14(3)8-13(2)22-23)10-20-18(24)16-9-15-6-4-5-7-17(15)21-19(16)25/h4-9,12H,10-11H2,1-3H3,(H,20,24)(H,21,25)/t12-/m0/s1
InChIKeyMYAJTRWOUSVXQO-LBPRGKRZSA-N
MW338.41 g/mol
LogP2.41
Rot. Bonds5

About N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 94732187) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID94732187
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)c2cc3ccccc3[nH]c2=O)n1
InChIInChI=1S/C19H22N4O2/c1-12(11-23-14(3)8-13(2)22-23)10-20-18(24)16-9-15-6-4-5-7-17(15)21-19(16)25/h4-9,12H,10-11H2,1-3H3,(H,20,24)(H,21,25)/t12-/m0/s1
InChIKeyMYAJTRWOUSVXQO-LBPRGKRZSA-N
XLogP2.41
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide
CID 94028950
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 120650317
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylfuran-3-carboxamide
CID 47042468
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,4-difluorobenzamide
CID 47042487
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55744895
1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide
CID 78885955
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide (CID 94732187) is N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide is Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cc3ccccc3[nH]c2=O)n1.
What is the InChIKey of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MYAJTRWOUSVXQO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(11-23-14(3)8-13(2)22-23)10-20-18(24)16-9-15-6-4-5-7-17(15)21-19(16)25/h4-9,12H,10-11H2,1-3H3,(H,20,24)(H,21,25)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 94732187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).