9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

C19H18FNO — CID 101338081

IUPAC9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=Cc2c(ccc3c2COc2ccc(F)cc2-3)NC1(C)C
InChIInChI=1S/C19H18FNO/c1-11-8-14-16-10-22-18-7-4-12(20)9-15(18)13(16)5-6-17(14)21-19(11,2)3/h4-9,21H,10H2,1-3H3
InChIKeySTTSRMDETRNUPZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.99
Rot. Bonds

About 9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 101338081) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is 9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID101338081
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=Cc2c(ccc3c2COc2ccc(F)cc2-3)NC1(C)C
InChIInChI=1S/C19H18FNO/c1-11-8-14-16-10-22-18-7-4-12(20)9-15(18)13(16)5-6-17(14)21-19(11,2)3/h4-9,21H,10H2,1-3H3
InChIKeySTTSRMDETRNUPZ-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 101338081) is 9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is CC1=Cc2c(ccc3c2COc2ccc(F)cc2-3)NC1(C)C.
What is the InChIKey of 9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is STTSRMDETRNUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-11-8-14-16-10-22-18-7-4-12(20)9-15(18)13(16)5-6-17(14)21-19(11,2)3/h4-9,21H,10H2,1-3H3.
What are the key properties of 9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 295.36 g/mol, XLogP of 4.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2,2,3-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 101338081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).