4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one

C29H26F3NO2 — CID 59988655

IUPAC4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one
SMILESCC(C)c1nc2c(c(-c3ccccc3)c1C(=O)c1ccc(C(F)(F)F)cc1)C(=O)CC1(CCC1)C2
InChIInChI=1S/C29H26F3NO2/c1-17(2)26-25(27(35)19-9-11-20(12-10-19)29(30,31)32)23(18-7-4-3-5-8-18)24-21(33-26)15-28(13-6-14-28)16-22(24)34/h3-5,7-12,17H,6,13-16H2,1-2H3
InChIKeyAAPAEOVQAYQLRX-UHFFFAOYSA-N
MW477.53 g/mol
LogP7.42
Rot. Bonds4

About 4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one

4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one (PubChem CID 59988655) has the molecular formula C29H26F3NO2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one.

Molecular Properties

Compound Name4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one
PubChem CID59988655
Molecular FormulaC29H26F3NO2
Molecular Weight477.53 g/mol
Exact Mass477.19
IUPAC Name4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one
SMILESCC(C)c1nc2c(c(-c3ccccc3)c1C(=O)c1ccc(C(F)(F)F)cc1)C(=O)CC1(CCC1)C2
InChIInChI=1S/C29H26F3NO2/c1-17(2)26-25(27(35)19-9-11-20(12-10-19)29(30,31)32)23(18-7-4-3-5-8-18)24-21(33-26)15-28(13-6-14-28)16-22(24)34/h3-5,7-12,17H,6,13-16H2,1-2H3
InChIKeyAAPAEOVQAYQLRX-UHFFFAOYSA-N
XLogP7.42
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(5S)-5-hydroxy-2-propan-2-yl-4-thiophen-3-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 59988670
[5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyl-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 72558979
4-cyclohexyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[1,4,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one
CID 59988645
[(5S)-4-(4-fluorophenyl)-5-hydroxy-2-(1-methoxyethyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 58119704
2,7,7-trimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carboxylic acid
CID 778088
[(5S)-5-hydroxy-2-(1-methoxyethyl)-7,7-dimethyl-4-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 58119764
CID 161391832
CID 161391832
4-cyclopentyl-2-propan-2-yl-3-[1-[4-(trifluoromethyl)phenyl]ethenyl]spiro[1,4,6,8-tetrahydroquinoline-7,1'-cyclobutane]-5-one;ethane
CID 143257559
[2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone
CID 10459372
[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-iodo-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 66761506
[(4S)-5-(4-fluorophenyl)-4-hydroxy-7-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 58003001
[2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
CID 15125318

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one?
The IUPAC name of 4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one (CID 59988655) is 4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one.
What is the SMILES notation for 4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one?
The canonical SMILES for 4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one is CC(C)c1nc2c(c(-c3ccccc3)c1C(=O)c1ccc(C(F)(F)F)cc1)C(=O)CC1(CCC1)C2.
What is the InChIKey of 4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one?
The InChIKey is AAPAEOVQAYQLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3NO2/c1-17(2)26-25(27(35)19-9-11-20(12-10-19)29(30,31)32)23(18-7-4-3-5-8-18)24-21(33-26)15-28(13-6-14-28)16-22(24)34/h3-5,7-12,17H,6,13-16H2,1-2H3.
What are the key properties of 4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one?
4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one has a molecular weight of 477.53 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]spiro[6,8-dihydroquinoline-7,1'-cyclobutane]-5-one is sourced from PubChem (CID 59988655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).