7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide

C20H13F3N2O2 — CID 15999384

IUPAC7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)oc3nc2c1
InChIInChI=1S/C20H13F3N2O2/c1-11-5-6-12-8-13-9-17(27-19(13)25-16(12)7-11)18(26)24-15-4-2-3-14(10-15)20(21,22)23/h2-10H,1H3,(H,24,26)
InChIKeyRCTPXKFCDVBJRU-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.56
Rot. Bonds2

About 7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide

7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide (PubChem CID 15999384) has the molecular formula C20H13F3N2O2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide
PubChem CID15999384
Molecular FormulaC20H13F3N2O2
Molecular Weight370.33 g/mol
Exact Mass370.09
IUPAC Name7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)oc3nc2c1
InChIInChI=1S/C20H13F3N2O2/c1-11-5-6-12-8-13-9-17(27-19(13)25-16(12)7-11)18(26)24-15-4-2-3-14(10-15)20(21,22)23/h2-10H,1H3,(H,24,26)
InChIKeyRCTPXKFCDVBJRU-UHFFFAOYSA-N
XLogP5.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide (CID 15999384) is 7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide is Cc1ccc2cc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)oc3nc2c1.
What is the InChIKey of 7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide?
The InChIKey is RCTPXKFCDVBJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O2/c1-11-5-6-12-8-13-9-17(27-19(13)25-16(12)7-11)18(26)24-15-4-2-3-14(10-15)20(21,22)23/h2-10H,1H3,(H,24,26).
What are the key properties of 7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide?
7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide has a molecular weight of 370.33 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[3-(trifluoromethyl)phenyl]furo[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 15999384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).