4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide

C24H19F3N6O2 — CID 66763725

IUPAC4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C24H19F3N6O2/c1-13(32-22-18-7-3-6-17(21(28)34)20(18)30-12-31-22)14-4-2-5-16(10-14)33-23(35)15-8-9-19(29-11-15)24(25,26)27/h2-13H,1H3,(H2,28,34)(H,33,35)(H,30,31,32)
InChIKeyRFRCSMPUQCLUQP-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.57
Rot. Bonds6

About 4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide

4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide (PubChem CID 66763725) has the molecular formula C24H19F3N6O2 and a molecular weight of 480.45 g/mol. Its IUPAC name is 4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide
PubChem CID66763725
Molecular FormulaC24H19F3N6O2
Molecular Weight480.45 g/mol
Exact Mass480.15
IUPAC Name4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C24H19F3N6O2/c1-13(32-22-18-7-3-6-17(21(28)34)20(18)30-12-31-22)14-4-2-5-16(10-14)33-23(35)15-8-9-19(29-11-15)24(25,26)27/h2-13H,1H3,(H2,28,34)(H,33,35)(H,30,31,32)
InChIKeyRFRCSMPUQCLUQP-UHFFFAOYSA-N
XLogP4.57
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide (CID 66763725) is 4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide is CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of 4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The InChIKey is RFRCSMPUQCLUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O2/c1-13(32-22-18-7-3-6-17(21(28)34)20(18)30-12-31-22)14-4-2-5-16(10-14)33-23(35)15-8-9-19(29-11-15)24(25,26)27/h2-13H,1H3,(H2,28,34)(H,33,35)(H,30,31,32).
What are the key properties of 4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide?
4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide has a molecular weight of 480.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).