[4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone

C33H34N4O4 — CID 70227217

IUPAC[4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone
SMILESCc1cc(-c2noc(CO)n2)ccc1-c1ccc(C(=O)N2c3cc4c(cc3CCC2C)OCC42CCNCC2)cc1
InChIInChI=1S/C33H34N4O4/c1-20-15-25(31-35-30(18-38)41-36-31)9-10-26(20)22-5-7-23(8-6-22)32(39)37-21(2)3-4-24-16-29-27(17-28(24)37)33(19-40-29)11-13-34-14-12-33/h5-10,15-17,21,34,38H,3-4,11-14,18-19H2,1-2H3
InChIKeyNJBYEEIOFOKCFY-UHFFFAOYSA-N
MW550.66 g/mol
LogP5.20
Rot. Bonds4

About [4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone

[4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone (PubChem CID 70227217) has the molecular formula C33H34N4O4 and a molecular weight of 550.66 g/mol. Its IUPAC name is [4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone.

Molecular Properties

Compound Name[4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone
PubChem CID70227217
Molecular FormulaC33H34N4O4
Molecular Weight550.66 g/mol
Exact Mass550.26
IUPAC Name[4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone
SMILESCc1cc(-c2noc(CO)n2)ccc1-c1ccc(C(=O)N2c3cc4c(cc3CCC2C)OCC42CCNCC2)cc1
InChIInChI=1S/C33H34N4O4/c1-20-15-25(31-35-30(18-38)41-36-31)9-10-26(20)22-5-7-23(8-6-22)32(39)37-21(2)3-4-24-16-29-27(17-28(24)37)33(19-40-29)11-13-34-14-12-33/h5-10,15-17,21,34,38H,3-4,11-14,18-19H2,1-2H3
InChIKeyNJBYEEIOFOKCFY-UHFFFAOYSA-N
XLogP5.20
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone?
The IUPAC name of [4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone (CID 70227217) is [4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone.
What is the SMILES notation for [4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone?
The canonical SMILES for [4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone is Cc1cc(-c2noc(CO)n2)ccc1-c1ccc(C(=O)N2c3cc4c(cc3CCC2C)OCC42CCNCC2)cc1.
What is the InChIKey of [4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone?
The InChIKey is NJBYEEIOFOKCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O4/c1-20-15-25(31-35-30(18-38)41-36-31)9-10-26(20)22-5-7-23(8-6-22)32(39)37-21(2)3-4-24-16-29-27(17-28(24)37)33(19-40-29)11-13-34-14-12-33/h5-10,15-17,21,34,38H,3-4,11-14,18-19H2,1-2H3.
What are the key properties of [4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone?
[4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone has a molecular weight of 550.66 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]phenyl]-(6-methylspiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-yl)methanone is sourced from PubChem (CID 70227217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).