8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one

C44H44N4O3 — CID 160809179

IUPAC8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one
SMILESCc1ccc(-c2cc(N3CCC(=O)CC3)c3ccccc3n2)cc1.Cc1ccc(-c2cc(N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C23H24N2O2.C21H20N2O/c1-17-6-8-18(9-7-17)21-16-22(19-4-2-3-5-20(19)24-21)25-12-10-23(11-13-25)26-14-15-27-23;1-15-6-8-16(9-7-15)20-14-21(23-12-10-17(24)11-13-23)18-4-2-3-5-19(18)22-20/h2-9,16H,10-15H2,1H3;2-9,14H,10-13H2,1H3
InChIKeySEBYZBOKGJEINO-UHFFFAOYSA-N
MW676.86 g/mol
LogP8.93
Rot. Bonds4

About 8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one

8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one (PubChem CID 160809179) has the molecular formula C44H44N4O3 and a molecular weight of 676.86 g/mol. Its IUPAC name is 8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one.

Molecular Properties

Compound Name8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one
PubChem CID160809179
Molecular FormulaC44H44N4O3
Molecular Weight676.86 g/mol
Exact Mass676.34
IUPAC Name8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one
SMILESCc1ccc(-c2cc(N3CCC(=O)CC3)c3ccccc3n2)cc1.Cc1ccc(-c2cc(N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C23H24N2O2.C21H20N2O/c1-17-6-8-18(9-7-17)21-16-22(19-4-2-3-5-20(19)24-21)25-12-10-23(11-13-25)26-14-15-27-23;1-15-6-8-16(9-7-15)20-14-21(23-12-10-17(24)11-13-23)18-4-2-3-5-19(18)22-20/h2-9,16H,10-15H2,1H3;2-9,14H,10-13H2,1H3
InChIKeySEBYZBOKGJEINO-UHFFFAOYSA-N
XLogP8.93
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one with MolForge

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Related Compounds

8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 90461235
8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 90462752
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375271
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
CID 91081201
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749888
2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 70459272
ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine
CID 144714319
8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 10610507
1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 158750926
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
CID 42750128

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one?
The IUPAC name of 8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one (CID 160809179) is 8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one.
What is the SMILES notation for 8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one?
The canonical SMILES for 8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one is Cc1ccc(-c2cc(N3CCC(=O)CC3)c3ccccc3n2)cc1.Cc1ccc(-c2cc(N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1.
What is the InChIKey of 8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one?
The InChIKey is SEBYZBOKGJEINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2.C21H20N2O/c1-17-6-8-18(9-7-17)21-16-22(19-4-2-3-5-20(19)24-21)25-12-10-23(11-13-25)26-14-15-27-23;1-15-6-8-16(9-7-15)20-14-21(23-12-10-17(24)11-13-23)18-4-2-3-5-19(18)22-20/h2-9,16H,10-15H2,1H3;2-9,14H,10-13H2,1H3.
What are the key properties of 8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one?
8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one has a molecular weight of 676.86 g/mol, XLogP of 8.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one is sourced from PubChem (CID 160809179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).