N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide

C19H13F3N6O2 — CID 11546108

IUPACN-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide
SMILESCc1c(C(=O)N/N=C/c2ccco2)nnn1-c1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C19H13F3N6O2/c1-11-16(18(29)26-24-10-12-4-3-9-30-12)25-27-28(11)15-7-8-23-17-13(15)5-2-6-14(17)19(20,21)22/h2-10H,1H3,(H,26,29)/b24-10+
InChIKeyFPOZVWDPTJKVEP-YSURURNPSA-N
MW414.35 g/mol
LogP3.50
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide (PubChem CID 11546108) has the molecular formula C19H13F3N6O2 and a molecular weight of 414.35 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide
PubChem CID11546108
Molecular FormulaC19H13F3N6O2
Molecular Weight414.35 g/mol
Exact Mass414.11
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide
SMILESCc1c(C(=O)N/N=C/c2ccco2)nnn1-c1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C19H13F3N6O2/c1-11-16(18(29)26-24-10-12-4-3-9-30-12)25-27-28(11)15-7-8-23-17-13(15)5-2-6-14(17)19(20,21)22/h2-10H,1H3,(H,26,29)/b24-10+
InChIKeyFPOZVWDPTJKVEP-YSURURNPSA-N
XLogP3.50
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-furylmethylene)-2-(4-pyridinyl)-4-quinolinecarbohydrazide
CID 9563619
N'-[3-(2-furyl)-2-methyl-2-propenylidene]-2-(4-pyridinyl)-4-quinolinecarbohydrazide
CID 9617636
N-[(E)-(4-methoxyphenyl)methyleneamino]-5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazole-4-carboxamide
CID 11503402
(E)-3-(4-methoxyphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one
CID 11590239
N'-(2-furylmethylene)-2,6-dimethyl-3-quinolinecarbohydrazide
CID 6875825
N'-(2-furylmethylene)-2-methyl-3-quinolinecarbohydrazide
CID 9563444
(E)-3-(2-furyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one
CID 11567471
N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide
CID 44564355
N-[(Z)-furan-2-ylmethylideneamino]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 76308905
N-[(Z)-furan-2-ylmethylideneamino]quinoline-6-carboxamide
CID 155520233
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-N-[(E)-(3-methoxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 162652369
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 162667465

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide (CID 11546108) is N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide is Cc1c(C(=O)N/N=C/c2ccco2)nnn1-c1ccnc2c(C(F)(F)F)cccc12.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide?
The InChIKey is FPOZVWDPTJKVEP-YSURURNPSA-N. The full InChI is InChI=1S/C19H13F3N6O2/c1-11-16(18(29)26-24-10-12-4-3-9-30-12)25-27-28(11)15-7-8-23-17-13(15)5-2-6-14(17)19(20,21)22/h2-10H,1H3,(H,26,29)/b24-10+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide has a molecular weight of 414.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 11546108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).