1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one

C25H29F2N3O2 — CID 118415390

IUPAC1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one
SMILESO=C1N(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCCN1C1CCCCC1
InChIInChI=1S/C25H29F2N3O2/c26-17-7-9-23-21(13-17)22-14-18(27)8-10-24(22)30(23)16-20(31)15-28-11-4-12-29(25(28)32)19-5-2-1-3-6-19/h7-10,13-14,19-20,31H,1-6,11-12,15-16H2
InChIKeyLOMJSCDJOXQWMC-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.89
Rot. Bonds5

About 1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one

1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one (PubChem CID 118415390) has the molecular formula C25H29F2N3O2 and a molecular weight of 441.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one
PubChem CID118415390
Molecular FormulaC25H29F2N3O2
Molecular Weight441.52 g/mol
Exact Mass441.22
IUPAC Name1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one
SMILESO=C1N(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCCN1C1CCCCC1
InChIInChI=1S/C25H29F2N3O2/c26-17-7-9-23-21(13-17)22-14-18(27)8-10-24(22)30(23)16-20(31)15-28-11-4-12-29(25(28)32)19-5-2-1-3-6-19/h7-10,13-14,19-20,31H,1-6,11-12,15-16H2
InChIKeyLOMJSCDJOXQWMC-UHFFFAOYSA-N
XLogP4.89
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 118415662
(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
CID 118415383
1-(5-cyclohexyl-1,2,5-thiadiazinan-2-yl)-3-(3,6-difluorocarbazol-9-yl)propan-2-ol
CID 135284887
3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,4,4a,5,6,7,8,8a-octahydroquinazolin-2-one
CID 166508322
(5R)-1-[(2S)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-5-methylpyrrolidin-2-one
CID 118415369
1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 142425581
1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol
CID 135284908
1-(2,6-difluorocarbazol-9-yl)-3-(1,1-dioxothiazinan-2-yl)propan-2-ol
CID 72544447
1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249185
1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxy-2-methylpropyl]-3-methylpiperidin-2-one
CID 118415412
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol
CID 135295529

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one?
The IUPAC name of 1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one (CID 118415390) is 1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one is O=C1N(CC(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one?
The InChIKey is LOMJSCDJOXQWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O2/c26-17-7-9-23-21(13-17)22-14-18(27)8-10-24(22)30(23)16-20(31)15-28-11-4-12-29(25(28)32)19-5-2-1-3-6-19/h7-10,13-14,19-20,31H,1-6,11-12,15-16H2.
What are the key properties of 1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one?
1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one has a molecular weight of 441.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,3-diazinan-2-one is sourced from PubChem (CID 118415390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).