N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide

C19H15F3N4O — CID 67961445

IUPACN-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide
SMILESCc1cc(-c2c(F)cc(F)cc2F)c2cc(C(=O)N=C(N)N)cc(C)c2n1
InChIInChI=1S/C19H15F3N4O/c1-8-3-10(18(27)26-19(23)24)5-13-12(4-9(2)25-17(8)13)16-14(21)6-11(20)7-15(16)22/h3-7H,1-2H3,(H4,23,24,26,27)
InChIKeyDAWBGCLFCMPXKA-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.35
Rot. Bonds2

About N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide

N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide (PubChem CID 67961445) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide
PubChem CID67961445
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide
SMILESCc1cc(-c2c(F)cc(F)cc2F)c2cc(C(=O)N=C(N)N)cc(C)c2n1
InChIInChI=1S/C19H15F3N4O/c1-8-3-10(18(27)26-19(23)24)5-13-12(4-9(2)25-17(8)13)16-14(21)6-11(20)7-15(16)22/h3-7H,1-2H3,(H4,23,24,26,27)
InChIKeyDAWBGCLFCMPXKA-UHFFFAOYSA-N
XLogP3.35
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide (CID 67961445) is N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide is Cc1cc(-c2c(F)cc(F)cc2F)c2cc(C(=O)N=C(N)N)cc(C)c2n1.
What is the InChIKey of N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide?
The InChIKey is DAWBGCLFCMPXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-8-3-10(18(27)26-19(23)24)5-13-12(4-9(2)25-17(8)13)16-14(21)6-11(20)7-15(16)22/h3-7H,1-2H3,(H4,23,24,26,27).
What are the key properties of N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide?
N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,8-dimethyl-4-(2,4,6-trifluorophenyl)quinoline-6-carboxamide is sourced from PubChem (CID 67961445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).