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

C26H24FNO2 — CID 10739813

IUPAC9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCOc1ccc(C2Oc3ccc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1
InChIInChI=1S/C26H24FNO2/c1-15-14-26(2,3)28-21-11-10-19-20-13-17(27)7-12-22(20)30-25(24(19)23(15)21)16-5-8-18(29-4)9-6-16/h5-14,25,28H,1-4H3
InChIKeyKVTIALKVENTGTL-UHFFFAOYSA-N
MW401.48 g/mol
LogP6.59
Rot. Bonds2

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

9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10739813) has the molecular formula C26H24FNO2 and a molecular weight of 401.48 g/mol. Its IUPAC name is 9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID10739813
Molecular FormulaC26H24FNO2
Molecular Weight401.48 g/mol
Exact Mass401.18
IUPAC Name9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCOc1ccc(C2Oc3ccc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1
InChIInChI=1S/C26H24FNO2/c1-15-14-26(2,3)28-21-11-10-19-20-13-17(27)7-12-22(20)30-25(24(19)23(15)21)16-5-8-18(29-4)9-6-16/h5-14,25,28H,1-4H3
InChIKeyKVTIALKVENTGTL-UHFFFAOYSA-N
XLogP6.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10739813) is 9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is COc1ccc(C2Oc3ccc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1.
What is the InChIKey of 9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is KVTIALKVENTGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO2/c1-15-14-26(2,3)28-21-11-10-19-20-13-17(27)7-12-22(20)30-25(24(19)23(15)21)16-5-8-18(29-4)9-6-16/h5-14,25,28H,1-4H3.
What are the key properties of 9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 401.48 g/mol, XLogP of 6.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10739813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).