2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline

C23H14F3NO — CID 67711475

IUPAC2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline
SMILESFC(F)(F)c1ccc(-c2ccc3c4c(ccc3n2)-c2ccccc2OC4)cc1
InChIInChI=1S/C23H14F3NO/c24-23(25,26)15-7-5-14(6-8-15)20-11-10-17-19-13-28-22-4-2-1-3-18(22)16(19)9-12-21(17)27-20/h1-12H,13H2
InChIKeyNEXAKYUWTNOTFT-UHFFFAOYSA-N
MW377.37 g/mol
LogP6.48
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline

2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline (PubChem CID 67711475) has the molecular formula C23H14F3NO and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline
PubChem CID67711475
Molecular FormulaC23H14F3NO
Molecular Weight377.37 g/mol
Exact Mass377.10
IUPAC Name2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline
SMILESFC(F)(F)c1ccc(-c2ccc3c4c(ccc3n2)-c2ccccc2OC4)cc1
InChIInChI=1S/C23H14F3NO/c24-23(25,26)15-7-5-14(6-8-15)20-11-10-17-19-13-28-22-4-2-1-3-18(22)16(19)9-12-21(17)27-20/h1-12H,13H2
InChIKeyNEXAKYUWTNOTFT-UHFFFAOYSA-N
XLogP6.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.37
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline (CID 67711475) is 2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline is FC(F)(F)c1ccc(-c2ccc3c4c(ccc3n2)-c2ccccc2OC4)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline?
The InChIKey is NEXAKYUWTNOTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO/c24-23(25,26)15-7-5-14(6-8-15)20-11-10-17-19-13-28-22-4-2-1-3-18(22)16(19)9-12-21(17)27-20/h1-12H,13H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline?
2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline has a molecular weight of 377.37 g/mol, XLogP of 6.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-5H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 67711475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).