3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one

C21H17NO3 — CID 10314628

IUPAC3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one
SMILESC=C1CC(COc2cccc3cccnc23)(c2ccccc2)OC1=O
InChIInChI=1S/C21H17NO3/c1-15-13-21(25-20(15)23,17-9-3-2-4-10-17)14-24-18-11-5-7-16-8-6-12-22-19(16)18/h2-12H,1,13-14H2
InChIKeyBCCOBGMYGPUEGU-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.01
Rot. Bonds4

About 3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one

3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one (PubChem CID 10314628) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one
PubChem CID10314628
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one
SMILESC=C1CC(COc2cccc3cccnc23)(c2ccccc2)OC1=O
InChIInChI=1S/C21H17NO3/c1-15-13-21(25-20(15)23,17-9-3-2-4-10-17)14-24-18-11-5-7-16-8-6-12-22-19(16)18/h2-12H,1,13-14H2
InChIKeyBCCOBGMYGPUEGU-UHFFFAOYSA-N
XLogP4.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Benzoxiquine
CID 6855
1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
5-fluoro-PB-22
CID 72710774
1-(cyclohexylmethyl)-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71711120
8-Acetoxyquinoline
CID 75777
8-quinolyl (2Z)-3-phenylprop-2-enoate
CID 1550199
Kryptofix 5
CID 93310
2-(Quinolin-8-yloxy)acetic acid
CID 220785
quinolin-8-yl (E)-3-phenylprop-2-enoate
CID 701842
quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate
CID 778948
1-{4-Methoxy-3-[(8-quinolinyloxy)methyl]phenyl}ethanone
CID 973526
2-[3-(8-Quinolinyloxy)propoxy]benzaldehyde
CID 2994188

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one?
The IUPAC name of 3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one (CID 10314628) is 3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one.
What is the SMILES notation for 3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one?
The canonical SMILES for 3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one is C=C1CC(COc2cccc3cccnc23)(c2ccccc2)OC1=O.
What is the InChIKey of 3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one?
The InChIKey is BCCOBGMYGPUEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-15-13-21(25-20(15)23,17-9-3-2-4-10-17)14-24-18-11-5-7-16-8-6-12-22-19(16)18/h2-12H,1,13-14H2.
What are the key properties of 3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one?
3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one has a molecular weight of 331.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one is sourced from PubChem (CID 10314628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).