8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one

C23H14F3N3O2 — CID 155233745

IUPAC8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
SMILESCc1ccc(-c2ccc3ncc4oc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C23H14F3N3O2/c1-13-5-6-15(11-27-13)14-7-8-19-18(9-14)21-20(12-28-19)31-22(30)29(21)17-4-2-3-16(10-17)23(24,25)26/h2-12H,1H3
InChIKeyBSMZGMHSPCUVAP-UHFFFAOYSA-N
MW421.38 g/mol
LogP5.52
Rot. Bonds2

About 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one

8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one (PubChem CID 155233745) has the molecular formula C23H14F3N3O2 and a molecular weight of 421.38 g/mol. Its IUPAC name is 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
PubChem CID155233745
Molecular FormulaC23H14F3N3O2
Molecular Weight421.38 g/mol
Exact Mass421.10
IUPAC Name8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
SMILESCc1ccc(-c2ccc3ncc4oc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C23H14F3N3O2/c1-13-5-6-15(11-27-13)14-7-8-19-18(9-14)21-20(12-28-19)31-22(30)29(21)17-4-2-3-16(10-17)23(24,25)26/h2-12H,1H3
InChIKeyBSMZGMHSPCUVAP-UHFFFAOYSA-N
XLogP5.52
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.38
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one?
The IUPAC name of 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one (CID 155233745) is 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one.
What is the SMILES notation for 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one?
The canonical SMILES for 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one is Cc1ccc(-c2ccc3ncc4oc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1.
What is the InChIKey of 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one?
The InChIKey is BSMZGMHSPCUVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O2/c1-13-5-6-15(11-27-13)14-7-8-19-18(9-14)21-20(12-28-19)31-22(30)29(21)17-4-2-3-16(10-17)23(24,25)26/h2-12H,1H3.
What are the key properties of 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one?
8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one has a molecular weight of 421.38 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-2-one is sourced from PubChem (CID 155233745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).