4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide

C24H18F3N5O2 — CID 66763431

IUPAC4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)ncnc12
InChIInChI=1S/C24H18F3N5O2/c25-24(26,27)19-10-2-1-7-16(19)23(34)32-15-6-3-5-14(11-15)12-29-22-18-9-4-8-17(21(28)33)20(18)30-13-31-22/h1-11,13H,12H2,(H2,28,33)(H,32,34)(H,29,30,31)
InChIKeyLAQKCNTWJTZLBG-UHFFFAOYSA-N
MW465.44 g/mol
LogP4.61
Rot. Bonds6

About 4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763431) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is 4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763431
Molecular FormulaC24H18F3N5O2
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC Name4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)ncnc12
InChIInChI=1S/C24H18F3N5O2/c25-24(26,27)19-10-2-1-7-16(19)23(34)32-15-6-3-5-14(11-15)12-29-22-18-9-4-8-17(21(28)33)20(18)30-13-31-22/h1-11,13H,12H2,(H2,28,33)(H,32,34)(H,29,30,31)
InChIKeyLAQKCNTWJTZLBG-UHFFFAOYSA-N
XLogP4.61
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 66763431) is 4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)ncnc12.
What is the InChIKey of 4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is LAQKCNTWJTZLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c25-24(26,27)19-10-2-1-7-16(19)23(34)32-15-6-3-5-14(11-15)12-29-22-18-9-4-8-17(21(28)33)20(18)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-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 465.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).