2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide

C21H20FN5O2 — CID 29085706

IUPAC2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)N(C)Cc3cc(C)no3)c3ccc(F)cc3n2)cn1
InChIInChI=1S/C21H20FN5O2/c1-4-27-11-14(10-23-27)19-9-18(17-6-5-15(22)8-20(17)24-19)21(28)26(3)12-16-7-13(2)25-29-16/h5-11H,4,12H2,1-3H3
InChIKeyKPRFITAMSZGDBR-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.83
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide

2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide (PubChem CID 29085706) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
PubChem CID29085706
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)N(C)Cc3cc(C)no3)c3ccc(F)cc3n2)cn1
InChIInChI=1S/C21H20FN5O2/c1-4-27-11-14(10-23-27)19-9-18(17-6-5-15(22)8-20(17)24-19)21(28)26(3)12-16-7-13(2)25-29-16/h5-11H,4,12H2,1-3H3
InChIKeyKPRFITAMSZGDBR-UHFFFAOYSA-N
XLogP3.83
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide
CID 45170761
2-(1-ethylpyrazol-4-yl)-6-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 46987975
7-fluoro-N,2-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 70783263
N-[(1-ethylimidazol-2-yl)methyl]-7-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)quinoline-4-carboxamide
CID 46994840
2-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoline-4-carboxamide
CID 31018668
[7-fluoro-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 29255838
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
[7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone
CID 29024640
N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride
CID 119656995
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46990998

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide (CID 29085706) is 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)N(C)Cc3cc(C)no3)c3ccc(F)cc3n2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide?
The InChIKey is KPRFITAMSZGDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-4-27-11-14(10-23-27)19-9-18(17-6-5-15(22)8-20(17)24-19)21(28)26(3)12-16-7-13(2)25-29-16/h5-11H,4,12H2,1-3H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide?
2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 29085706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).