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

C19H16F2N4O — CID 67961470

IUPACN-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide
SMILESCc1nc2ccc(C(=O)N=C(N)N)cc2c(-c2c(F)cccc2F)c1C
InChIInChI=1S/C19H16F2N4O/c1-9-10(2)24-15-7-6-11(18(26)25-19(22)23)8-12(15)16(9)17-13(20)4-3-5-14(17)21/h3-8H,1-2H3,(H4,22,23,25,26)
InChIKeyVLJFPBNAJWAEKK-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.21
Rot. Bonds2

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

N-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide (PubChem CID 67961470) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide
PubChem CID67961470
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide
SMILESCc1nc2ccc(C(=O)N=C(N)N)cc2c(-c2c(F)cccc2F)c1C
InChIInChI=1S/C19H16F2N4O/c1-9-10(2)24-15-7-6-11(18(26)25-19(22)23)8-12(15)16(9)17-13(20)4-3-5-14(17)21/h3-8H,1-2H3,(H4,22,23,25,26)
InChIKeyVLJFPBNAJWAEKK-UHFFFAOYSA-N
XLogP3.21
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.21
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-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide?
The IUPAC name of N-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide (CID 67961470) is N-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide is Cc1nc2ccc(C(=O)N=C(N)N)cc2c(-c2c(F)cccc2F)c1C.
What is the InChIKey of N-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide?
The InChIKey is VLJFPBNAJWAEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-9-10(2)24-15-7-6-11(18(26)25-19(22)23)8-12(15)16(9)17-13(20)4-3-5-14(17)21/h3-8H,1-2H3,(H4,22,23,25,26).
What are the key properties of N-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide?
N-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-(2,6-difluorophenyl)-2,3-dimethylquinoline-6-carboxamide is sourced from PubChem (CID 67961470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).