4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline

C18H18FNO2 — CID 134382063

IUPAC4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline
SMILESCc1cnc2ccc(F)cc2c1C1=CCC2(CC1)OCCO2
InChIInChI=1S/C18H18FNO2/c1-12-11-20-16-3-2-14(19)10-15(16)17(12)13-4-6-18(7-5-13)21-8-9-22-18/h2-4,10-11H,5-9H2,1H3
InChIKeyGNNCZRUWLCOTAJ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.99
Rot. Bonds1

About 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline

4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline (PubChem CID 134382063) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline
PubChem CID134382063
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline
SMILESCc1cnc2ccc(F)cc2c1C1=CCC2(CC1)OCCO2
InChIInChI=1S/C18H18FNO2/c1-12-11-20-16-3-2-14(19)10-15(16)17(12)13-4-6-18(7-5-13)21-8-9-22-18/h2-4,10-11H,5-9H2,1H3
InChIKeyGNNCZRUWLCOTAJ-UHFFFAOYSA-N
XLogP3.99
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline (CID 134382063) is 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline is Cc1cnc2ccc(F)cc2c1C1=CCC2(CC1)OCCO2.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline?
The InChIKey is GNNCZRUWLCOTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12-11-20-16-3-2-14(19)10-15(16)17(12)13-4-6-18(7-5-13)21-8-9-22-18/h2-4,10-11H,5-9H2,1H3.
What are the key properties of 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline?
4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline has a molecular weight of 299.35 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-fluoro-3-methylquinoline is sourced from PubChem (CID 134382063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).