N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

C21H15F3N4O2 — CID 19518514

IUPACN-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3ccc(F)cc3OC(F)F)c3ccccc3n2)cn1
InChIInChI=1S/C21H15F3N4O2/c1-28-11-12(10-25-28)18-9-15(14-4-2-3-5-16(14)26-18)20(29)27-17-7-6-13(22)8-19(17)30-21(23)24/h2-11,21H,1H3,(H,27,29)
InChIKeyJQYQVPYNZZMEEX-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.63
Rot. Bonds5

About N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19518514) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19518514
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC NameN-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3ccc(F)cc3OC(F)F)c3ccccc3n2)cn1
InChIInChI=1S/C21H15F3N4O2/c1-28-11-12(10-25-28)18-9-15(14-4-2-3-5-16(14)26-18)20(29)27-17-7-6-13(22)8-19(17)30-21(23)24/h2-11,21H,1H3,(H,27,29)
InChIKeyJQYQVPYNZZMEEX-UHFFFAOYSA-N
XLogP4.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
N-[2-(difluoromethoxy)-4-methylphenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512452
N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512920
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518692
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518408
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518467
N-(4-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513014
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 19518514) is N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is Cn1cc(-c2cc(C(=O)Nc3ccc(F)cc3OC(F)F)c3ccccc3n2)cn1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is JQYQVPYNZZMEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c1-28-11-12(10-25-28)18-9-15(14-4-2-3-5-16(14)26-18)20(29)27-17-7-6-13(22)8-19(17)30-21(23)24/h2-11,21H,1H3,(H,27,29).
What are the key properties of N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 412.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19518514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).