N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide

C14H11F2N5O2 — CID 166321478

IUPACN-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2n[nH]c(C(F)F)n2)c2ccccc21
InChIInChI=1S/C14H11F2N5O2/c1-21-9-5-3-2-4-7(9)8(6-10(21)22)13(23)18-14-17-12(11(15)16)19-20-14/h2-6,11H,1H3,(H2,17,18,19,20,23)
InChIKeyFUEHBVJTNQHXBK-UHFFFAOYSA-N
MW319.27 g/mol
LogP1.85
Rot. Bonds3

About N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 166321478) has the molecular formula C14H11F2N5O2 and a molecular weight of 319.27 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID166321478
Molecular FormulaC14H11F2N5O2
Molecular Weight319.27 g/mol
Exact Mass319.09
IUPAC NameN-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2n[nH]c(C(F)F)n2)c2ccccc21
InChIInChI=1S/C14H11F2N5O2/c1-21-9-5-3-2-4-7(9)8(6-10(21)22)13(23)18-14-17-12(11(15)16)19-20-14/h2-6,11H,1H3,(H2,17,18,19,20,23)
InChIKeyFUEHBVJTNQHXBK-UHFFFAOYSA-N
XLogP1.85
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 71709068
1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 55754361
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-(2,4-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694516
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
1-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)isoquinoline-4-carboxamide
CID 91641017
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55753020

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 166321478) is N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2n[nH]c(C(F)F)n2)c2ccccc21.
What is the InChIKey of N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is FUEHBVJTNQHXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O2/c1-21-9-5-3-2-4-7(9)8(6-10(21)22)13(23)18-14-17-12(11(15)16)19-20-14/h2-6,11H,1H3,(H2,17,18,19,20,23).
What are the key properties of N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 319.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 166321478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).