5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline

C19H17F2N — CID 23433532

IUPAC5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline
SMILESCC1=c2c(cc3c(c2F)-c2ccc(F)cc2C=3)NC(C)(C)C1
InChIInChI=1S/C19H17F2N/c1-10-9-19(2,3)22-15-8-12-6-11-7-13(20)4-5-14(11)17(12)18(21)16(10)15/h4-8,22H,9H2,1-3H3
InChIKeyUKCRVPRTOHQICP-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.54
Rot. Bonds

About 5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline

5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline (PubChem CID 23433532) has the molecular formula C19H17F2N and a molecular weight of 297.35 g/mol. Its IUPAC name is 5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline.

Molecular Properties

Compound Name5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline
PubChem CID23433532
Molecular FormulaC19H17F2N
Molecular Weight297.35 g/mol
Exact Mass297.13
IUPAC Name5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline
SMILESCC1=c2c(cc3c(c2F)-c2ccc(F)cc2C=3)NC(C)(C)C1
InChIInChI=1S/C19H17F2N/c1-10-9-19(2,3)22-15-8-12-6-11-7-13(20)4-5-14(11)17(12)18(21)16(10)15/h4-8,22H,9H2,1-3H3
InChIKeyUKCRVPRTOHQICP-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline?
The IUPAC name of 5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline (CID 23433532) is 5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline.
What is the SMILES notation for 5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline?
The canonical SMILES for 5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline is CC1=c2c(cc3c(c2F)-c2ccc(F)cc2C=3)NC(C)(C)C1.
What is the InChIKey of 5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline?
The InChIKey is UKCRVPRTOHQICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N/c1-10-9-19(2,3)22-15-8-12-6-11-7-13(20)4-5-14(11)17(12)18(21)16(10)15/h4-8,22H,9H2,1-3H3.
What are the key properties of 5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline?
5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline has a molecular weight of 297.35 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-2,2,4-trimethyl-1,3-dihydroindeno[1,2-g]quinoline is sourced from PubChem (CID 23433532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).