7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C24H24N2O2 — CID 175917864

IUPAC7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCc1c(-c2ccc(OC3CCN4C(=O)CCC4C3)cc2)ccc2cccnc12
InChIInChI=1S/C24H24N2O2/c1-16-22(10-6-18-3-2-13-25-24(16)18)17-4-8-20(9-5-17)28-21-12-14-26-19(15-21)7-11-23(26)27/h2-6,8-10,13,19,21H,7,11-12,14-15H2,1H3
InChIKeyKRRPAKIPKOZJAM-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.74
Rot. Bonds3

About 7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 175917864) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID175917864
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCc1c(-c2ccc(OC3CCN4C(=O)CCC4C3)cc2)ccc2cccnc12
InChIInChI=1S/C24H24N2O2/c1-16-22(10-6-18-3-2-13-25-24(16)18)17-4-8-20(9-5-17)28-21-12-14-26-19(15-21)7-11-23(26)27/h2-6,8-10,13,19,21H,7,11-12,14-15H2,1H3
InChIKeyKRRPAKIPKOZJAM-UHFFFAOYSA-N
XLogP4.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Related Compounds

1-[(2S,4S)-2-methyl-4-[4-(8-methylquinolin-7-yl)phenoxy]piperidin-1-yl]butan-1-one
CID 134285845
[(1R,5R)-3-[4-(8-methylquinolin-7-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl]-[(2R)-oxolan-2-yl]methanone
CID 140759164
1-methylpyrrolidine;4-[4-(8-methylquinolin-7-yl)phenoxy]piperidine-1-carbaldehyde
CID 145214187
7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid
CID 142800445
[(3R,4S)-3-fluoro-4-[4-(8-methylquinolin-7-yl)phenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone;hydrochloride
CID 155323728
4-[4-(5-methylimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidine-1-carboxamide;[(2S)-1-methylpyrrolidin-2-yl]-[4-[4-(8-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;[(2R)-1-methylpyrrolidin-2-yl]-[4-[4-(8-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone
CID 175127712
cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride
CID 156702483
8-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinoline
CID 141148841
(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone
CID 166194792
1-[4-[3-hydroxypropoxy-[4-(8-methylquinolin-7-yl)phenyl]methyl]piperidin-1-yl]propan-1-one
CID 153316473
6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde
CID 135141595
CID 58385596
CID 58385596

Frequently Asked Questions

What is the IUPAC name of 7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 175917864) is 7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is Cc1c(-c2ccc(OC3CCN4C(=O)CCC4C3)cc2)ccc2cccnc12.
What is the InChIKey of 7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is KRRPAKIPKOZJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-16-22(10-6-18-3-2-13-25-24(16)18)17-4-8-20(9-5-17)28-21-12-14-26-19(15-21)7-11-23(26)27/h2-6,8-10,13,19,21H,7,11-12,14-15H2,1H3.
What are the key properties of 7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 372.47 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(8-methylquinolin-7-yl)phenoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 175917864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).