N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide

C20H19FN4O — CID 67961486

IUPACN-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide
SMILESCc1cccc(F)c1-c1c(C)c(C)nc2ccc(C(=O)N=C(N)N)cc12
InChIInChI=1S/C20H19FN4O/c1-10-5-4-6-15(21)17(10)18-11(2)12(3)24-16-8-7-13(9-14(16)18)19(26)25-20(22)23/h4-9H,1-3H3,(H4,22,23,25,26)
InChIKeyHKFWDRSKNGLBNE-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.38
Rot. Bonds2

About N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide

N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide (PubChem CID 67961486) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide
PubChem CID67961486
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide
SMILESCc1cccc(F)c1-c1c(C)c(C)nc2ccc(C(=O)N=C(N)N)cc12
InChIInChI=1S/C20H19FN4O/c1-10-5-4-6-15(21)17(10)18-11(2)12(3)24-16-8-7-13(9-14(16)18)19(26)25-20(22)23/h4-9H,1-3H3,(H4,22,23,25,26)
InChIKeyHKFWDRSKNGLBNE-UHFFFAOYSA-N
XLogP3.38
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.38
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)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide?
The IUPAC name of N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide (CID 67961486) is N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide is Cc1cccc(F)c1-c1c(C)c(C)nc2ccc(C(=O)N=C(N)N)cc12.
What is the InChIKey of N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide?
The InChIKey is HKFWDRSKNGLBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-10-5-4-6-15(21)17(10)18-11(2)12(3)24-16-8-7-13(9-14(16)18)19(26)25-20(22)23/h4-9H,1-3H3,(H4,22,23,25,26).
What are the key properties of N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide?
N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-(2-fluoro-6-methylphenyl)-2,3-dimethylquinoline-6-carboxamide is sourced from PubChem (CID 67961486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).