4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide

C24H20F3N5O3 — CID 66763264

IUPAC4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(C(F)(F)F)o1
InChIInChI=1S/C24H20F3N5O3/c1-12-9-18(20(35-12)24(25,26)27)23(34)32-15-6-3-5-14(10-15)13(2)31-22-17-8-4-7-16(21(28)33)19(17)29-11-30-22/h3-11,13H,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)
InChIKeyIKLMCSQBFDOMDW-UHFFFAOYSA-N
MW483.45 g/mol
LogP5.07
Rot. Bonds6

About 4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide

4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide (PubChem CID 66763264) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is 4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide
PubChem CID66763264
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(C(F)(F)F)o1
InChIInChI=1S/C24H20F3N5O3/c1-12-9-18(20(35-12)24(25,26)27)23(34)32-15-6-3-5-14(10-15)13(2)31-22-17-8-4-7-16(21(28)33)19(17)29-11-30-22/h3-11,13H,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31)
InChIKeyIKLMCSQBFDOMDW-UHFFFAOYSA-N
XLogP5.07
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.45
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide with MolForge

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Related Compounds

4-[(3-Methoxyphenyl)methylamino]quinazoline-8-carboxamide
CID 66762608
4-[(2-Methoxyphenyl)methylamino]quinazoline-8-carboxamide
CID 66762624
4-[1-[3-[(6-Methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide
CID 46868887
4-[[(1R)-1-[3-[(2-methoxypyridine-4-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869106
6-Methoxy-4-(2-methylamino-1-phenyl-ethylamino)-quinazoline-8-carboxylic acid amide
CID 46869311
4-[[(1S)-2-amino-1-phenylethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869380
4-[[1-(3-Fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869381
4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869452
4-[[1-[3-[(3-Fluoro-4-methoxybenzoyl)amino]phenyl]-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 46869576
4-[[1-[3-[(4-Methoxybenzoyl)amino]phenyl]-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 46869579
4-[[2-(Dimethylamino)-1-[3-[(4-methoxybenzoyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869639
4-[[1-[3-[(2-Fluoro-4-methoxybenzoyl)amino]phenyl]-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 46869706

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide (CID 66763264) is 4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide is Cc1cc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(C(F)(F)F)o1.
What is the InChIKey of 4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The InChIKey is IKLMCSQBFDOMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-12-9-18(20(35-12)24(25,26)27)23(34)32-15-6-3-5-14(10-15)13(2)31-22-17-8-4-7-16(21(28)33)19(17)29-11-30-22/h3-11,13H,1-2H3,(H2,28,33)(H,32,34)(H,29,30,31).
What are the key properties of 4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide?
4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 5.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).