8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one

C19H23ClN2O2 — CID 135117930

IUPAC8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CN2CCC[C@@]3(CCC[C@H]3O)C2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H23ClN2O2/c20-15-5-1-4-14-16(23)10-13(21-18(14)15)11-22-9-3-8-19(12-22)7-2-6-17(19)24/h1,4-5,10,17,24H,2-3,6-9,11-12H2,(H,21,23)/t17-,19+/m1/s1
InChIKeyLXNRZSUWJOTBPH-MJGOQNOKSA-N
MW346.86 g/mol
LogP3.31
Rot. Bonds2

About 8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one

8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one (PubChem CID 135117930) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one
PubChem CID135117930
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CN2CCC[C@@]3(CCC[C@H]3O)C2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H23ClN2O2/c20-15-5-1-4-14-16(23)10-13(21-18(14)15)11-22-9-3-8-19(12-22)7-2-6-17(19)24/h1,4-5,10,17,24H,2-3,6-9,11-12H2,(H,21,23)/t17-,19+/m1/s1
InChIKeyLXNRZSUWJOTBPH-MJGOQNOKSA-N
XLogP3.31
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135091462
1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide
CID 135090544
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
3-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-pyridin-2-one
CID 165420515
9-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 72837805
2-(8-chloro-4-oxo-1H-quinolin-2-yl)ethanethial
CID 87188682
8-chloro-2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580413
(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 135110130
(4R,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165425706
(3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97152965
ethyl (1S,2S,4R)-7-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2-ethyl-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 164689358
2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72927024

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one (CID 135117930) is 8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one is O=c1cc(CN2CCC[C@@]3(CCC[C@H]3O)C2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one?
The InChIKey is LXNRZSUWJOTBPH-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-15-5-1-4-14-16(23)10-13(21-18(14)15)11-22-9-3-8-19(12-22)7-2-6-17(19)24/h1,4-5,10,17,24H,2-3,6-9,11-12H2,(H,21,23)/t17-,19+/m1/s1.
What are the key properties of 8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one?
8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one has a molecular weight of 346.86 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 135117930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).