4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide

C24H18F3N5O3 — CID 66763550

IUPAC4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ncnc12
InChIInChI=1S/C24H18F3N5O3/c25-24(26,27)35-17-7-2-5-15(11-17)23(34)32-16-6-1-4-14(10-16)12-29-22-19-9-3-8-18(21(28)33)20(19)30-13-31-22/h1-11,13H,12H2,(H2,28,33)(H,32,34)(H,29,30,31)
InChIKeyYWZXPHGLOMUDHA-UHFFFAOYSA-N
MW481.43 g/mol
LogP4.49
Rot. Bonds7

About 4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763550) has the molecular formula C24H18F3N5O3 and a molecular weight of 481.43 g/mol. Its IUPAC name is 4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763550
Molecular FormulaC24H18F3N5O3
Molecular Weight481.43 g/mol
Exact Mass481.14
IUPAC Name4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ncnc12
InChIInChI=1S/C24H18F3N5O3/c25-24(26,27)35-17-7-2-5-15(11-17)23(34)32-16-6-1-4-14(10-16)12-29-22-19-9-3-8-18(21(28)33)20(19)30-13-31-22/h1-11,13H,12H2,(H2,28,33)(H,32,34)(H,29,30,31)
InChIKeyYWZXPHGLOMUDHA-UHFFFAOYSA-N
XLogP4.49
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.43
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 66763550) is 4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ncnc12.
What is the InChIKey of 4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is YWZXPHGLOMUDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O3/c25-24(26,27)35-17-7-2-5-15(11-17)23(34)32-16-6-1-4-14(10-16)12-29-22-19-9-3-8-18(21(28)33)20(19)30-13-31-22/h1-11,13H,12H2,(H2,28,33)(H,32,34)(H,29,30,31).
What are the key properties of 4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 481.43 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).