(5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one

C23H27F3N4O2 — CID 58653212

IUPAC(5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1nc(C(F)(F)F)nc3ccccc13)C2
InChIInChI=1S/C23H27F3N4O2/c24-23(25,26)20-27-18-5-2-1-4-17(18)19(28-20)29-12-3-10-22(14-29)11-13-30(21(22)32)15-6-8-16(31)9-7-15/h1-2,4-5,15-16,31H,3,6-14H2/t15?,16?,22-/m1/s1
InChIKeyFDZCTSNUEZOEAP-WTOQYCPUSA-N
MW448.49 g/mol
LogP3.77
Rot. Bonds2

About (5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one

(5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 58653212) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is (5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID58653212
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC Name(5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1nc(C(F)(F)F)nc3ccccc13)C2
InChIInChI=1S/C23H27F3N4O2/c24-23(25,26)20-27-18-5-2-1-4-17(18)19(28-20)29-12-3-10-22(14-29)11-13-30(21(22)32)15-6-8-16(31)9-7-15/h1-2,4-5,15-16,31H,3,6-14H2/t15?,16?,22-/m1/s1
InChIKeyFDZCTSNUEZOEAP-WTOQYCPUSA-N
XLogP3.77
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethoxy)phenyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653502
9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722584
9-(2,3-difluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722474
(5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653472
9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722375
(5R)-9-(3-bromo-5-methyl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653270
9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 66723598
2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile
CID 66722245
2-(4-hydroxycyclohexyl)-9-[5-(2-oxo-1-pyridinyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one
CID 66722612
[2-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-6-methoxy-3-pyridinyl]carbamic acid
CID 68751814
(5R)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 69491493
(5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 66722303

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one (CID 58653212) is (5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1nc(C(F)(F)F)nc3ccccc13)C2.
What is the InChIKey of (5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is FDZCTSNUEZOEAP-WTOQYCPUSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c24-23(25,26)20-27-18-5-2-1-4-17(18)19(28-20)29-12-3-10-22(14-29)11-13-30(21(22)32)15-6-8-16(31)9-7-15/h1-2,4-5,15-16,31H,3,6-14H2/t15?,16?,22-/m1/s1.
What are the key properties of (5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one?
(5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 448.49 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58653212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).