8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C18H15F3N6O — CID 46223562

IUPAC8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESNC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(Nc3ccccc3)nc1-2
InChIInChI=1S/C18H15F3N6O/c19-18(20,21)9-27-15-12(14(26-27)16(22)28)7-6-10-8-23-17(25-13(10)15)24-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H2,22,28)(H,23,24,25)
InChIKeyHWASNOYCCGHVQF-UHFFFAOYSA-N
MW388.35 g/mol
LogP2.84
Rot. Bonds4

About 8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 46223562) has the molecular formula C18H15F3N6O and a molecular weight of 388.35 g/mol. Its IUPAC name is 8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID46223562
Molecular FormulaC18H15F3N6O
Molecular Weight388.35 g/mol
Exact Mass388.13
IUPAC Name8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESNC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(Nc3ccccc3)nc1-2
InChIInChI=1S/C18H15F3N6O/c19-18(20,21)9-27-15-12(14(26-27)16(22)28)7-6-10-8-23-17(25-13(10)15)24-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H2,22,28)(H,23,24,25)
InChIKeyHWASNOYCCGHVQF-UHFFFAOYSA-N
XLogP2.84
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide with MolForge

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Related Compounds

N,1,4,4-Tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide
CID 16718576
1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxylic acid
CID 44129603
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 22
CID 44235885
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 24
CID 44235886
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 20
CID 11486283
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 23
CID 44232694
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 25
CID 44232695
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 27
CID 44235888
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 35
CID 44236110
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 16
CID 44236353
8-anilino-N-(2-hydroxyethyl)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 44236354
1-(3-aminopropyl)-8-(3-(2-(dimethylamino)-2-oxoethyl)phenylamino)-N-((2-methylpyridin-4-yl)methyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 46911003

Frequently Asked Questions

What is the IUPAC name of 8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 46223562) is 8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is NC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(Nc3ccccc3)nc1-2.
What is the InChIKey of 8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is HWASNOYCCGHVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O/c19-18(20,21)9-27-15-12(14(26-27)16(22)28)7-6-10-8-23-17(25-13(10)15)24-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H2,22,28)(H,23,24,25).
What are the key properties of 8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 46223562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).