N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide

C24H24F2N4O — CID 155312464

IUPACN-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide
SMILESC/N=C(/C=C(\N)C(C)(C)C)NC(=O)c1ccc2cc(-c3ccc(F)cc3F)cnc2c1
InChIInChI=1S/C24H24F2N4O/c1-24(2,3)21(27)12-22(28-4)30-23(31)15-6-5-14-9-16(13-29-20(14)10-15)18-8-7-17(25)11-19(18)26/h5-13H,27H2,1-4H3,(H,28,30,31)/b21-12-
InChIKeyWDSIFOSFDFQHJL-MTJSOVHGSA-N
MW422.48 g/mol
LogP4.83
Rot. Bonds3

About N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide

N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide (PubChem CID 155312464) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide
PubChem CID155312464
Molecular FormulaC24H24F2N4O
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC NameN-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide
SMILESC/N=C(/C=C(\N)C(C)(C)C)NC(=O)c1ccc2cc(-c3ccc(F)cc3F)cnc2c1
InChIInChI=1S/C24H24F2N4O/c1-24(2,3)21(27)12-22(28-4)30-23(31)15-6-5-14-9-16(13-29-20(14)10-15)18-8-7-17(25)11-19(18)26/h5-13H,27H2,1-4H3,(H,28,30,31)/b21-12-
InChIKeyWDSIFOSFDFQHJL-MTJSOVHGSA-N
XLogP4.83
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide?
The IUPAC name of N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide (CID 155312464) is N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide.
What is the SMILES notation for N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide?
The canonical SMILES for N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide is C/N=C(/C=C(\N)C(C)(C)C)NC(=O)c1ccc2cc(-c3ccc(F)cc3F)cnc2c1.
What is the InChIKey of N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide?
The InChIKey is WDSIFOSFDFQHJL-MTJSOVHGSA-N. The full InChI is InChI=1S/C24H24F2N4O/c1-24(2,3)21(27)12-22(28-4)30-23(31)15-6-5-14-9-16(13-29-20(14)10-15)18-8-7-17(25)11-19(18)26/h5-13H,27H2,1-4H3,(H,28,30,31)/b21-12-.
What are the key properties of N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide?
N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-[(Z)-2-amino-3,3-dimethylbut-1-enyl]-N-methylcarbonimidoyl]-3-(2,4-difluorophenyl)quinoline-7-carboxamide is sourced from PubChem (CID 155312464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).