cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one

C26H29FN2O2 — CID 143373074

IUPACcyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one
SMILESO=C1CCCCN1[C@@H](Cc1cccc2cccnc12)c1ccc(F)cc1.OCC1CC1
InChIInChI=1S/C22H21FN2O.C4H8O/c23-19-11-9-16(10-12-19)20(25-14-2-1-8-21(25)26)15-18-6-3-5-17-7-4-13-24-22(17)18;5-3-4-1-2-4/h3-7,9-13,20H,1-2,8,14-15H2;4-5H,1-3H2/t20-;/m0./s1
InChIKeyVAUBPKUMKFZUPV-BDQAORGHSA-N
MW420.53 g/mol
LogP5.06
Rot. Bonds5

About cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one

cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one (PubChem CID 143373074) has the molecular formula C26H29FN2O2 and a molecular weight of 420.53 g/mol. Its IUPAC name is cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one.

Molecular Properties

Compound Namecyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one
PubChem CID143373074
Molecular FormulaC26H29FN2O2
Molecular Weight420.53 g/mol
Exact Mass420.22
IUPAC Namecyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one
SMILESO=C1CCCCN1[C@@H](Cc1cccc2cccnc12)c1ccc(F)cc1.OCC1CC1
InChIInChI=1S/C22H21FN2O.C4H8O/c23-19-11-9-16(10-12-19)20(25-14-2-1-8-21(25)26)15-18-6-3-5-17-7-4-13-24-22(17)18;5-3-4-1-2-4/h3-7,9-13,20H,1-2,8,14-15H2;4-5H,1-3H2/t20-;/m0./s1
InChIKeyVAUBPKUMKFZUPV-BDQAORGHSA-N
XLogP5.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one with MolForge

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Related Compounds

(3aR,8aR)-4-[(4-fluorophenyl)methyl]-1-(quinolin-8-ylmethyl)-3,3a,6,7,8,8a-hexahydro-2H-pyrrolo[3,2-b]azepin-5-one
CID 110136746
8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline
CID 143372956
1-[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one;propan-1-ol
CID 143373095
8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline;pyrrolidin-2-one
CID 143372997
N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide
CID 75433584
1-(4-fluorophenyl)-2-[1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]ethanone
CID 86780789
8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline
CID 143372998
4-[(1S,2R)-1-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-2-quinolin-8-ylethoxy]benzonitrile
CID 59552040
8-[2-(4-fluorophenyl)ethyl]quinoline
CID 143373037
3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide
CID 111443887
aluminum quinolin-8-ylmethanol
CID 23124809
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide
CID 51307065

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one?
The IUPAC name of cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one (CID 143373074) is cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one.
What is the SMILES notation for cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one?
The canonical SMILES for cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one is O=C1CCCCN1[C@@H](Cc1cccc2cccnc12)c1ccc(F)cc1.OCC1CC1.
What is the InChIKey of cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one?
The InChIKey is VAUBPKUMKFZUPV-BDQAORGHSA-N. The full InChI is InChI=1S/C22H21FN2O.C4H8O/c23-19-11-9-16(10-12-19)20(25-14-2-1-8-21(25)26)15-18-6-3-5-17-7-4-13-24-22(17)18;5-3-4-1-2-4/h3-7,9-13,20H,1-2,8,14-15H2;4-5H,1-3H2/t20-;/m0./s1.
What are the key properties of cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one?
cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one has a molecular weight of 420.53 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanol;1-[(1S)-1-(4-fluorophenyl)-2-quinolin-8-ylethyl]piperidin-2-one is sourced from PubChem (CID 143373074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).