7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one

C27H15F3N4O2 — CID 171099094

IUPAC7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one
SMILESO=c1c2ncccc2ccn1-c1oc(-c2cnc3ccccc3c2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H15F3N4O2/c28-27(29,30)20-9-7-17(8-10-20)23-26(34-13-11-16-5-3-12-31-22(16)25(34)35)36-24(33-23)19-14-18-4-1-2-6-21(18)32-15-19/h1-15H
InChIKeyCZXSEXJMHXPSJX-UHFFFAOYSA-N
MW484.44 g/mol
LogP6.27
Rot. Bonds3

About 7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one

7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one (PubChem CID 171099094) has the molecular formula C27H15F3N4O2 and a molecular weight of 484.44 g/mol. Its IUPAC name is 7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one
PubChem CID171099094
Molecular FormulaC27H15F3N4O2
Molecular Weight484.44 g/mol
Exact Mass484.11
IUPAC Name7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one
SMILESO=c1c2ncccc2ccn1-c1oc(-c2cnc3ccccc3c2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H15F3N4O2/c28-27(29,30)20-9-7-17(8-10-20)23-26(34-13-11-16-5-3-12-31-22(16)25(34)35)36-24(33-23)19-14-18-4-1-2-6-21(18)32-15-19/h1-15H
InChIKeyCZXSEXJMHXPSJX-UHFFFAOYSA-N
XLogP6.27
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 171098818
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228
3-(6-quinolin-8-yl-3-pyridinyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293945
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 122226601
1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25022631
7-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 171098944
7-[5-(4-methylphenyl)-2-[5-[1-(trifluoromethyl)cyclopropyl]-1,3-benzoxazol-2-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 174243843
6-[4-(trifluoromethyl)phenyl]pyrido[2,3-c][1,8]naphthyridine
CID 162534915
6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline
CID 102716462
7-iodo-1,7-naphthyridin-8-one
CID 174258978

Frequently Asked Questions

What is the IUPAC name of 7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one?
The IUPAC name of 7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one (CID 171099094) is 7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one is O=c1c2ncccc2ccn1-c1oc(-c2cnc3ccccc3c2)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one?
The InChIKey is CZXSEXJMHXPSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15F3N4O2/c28-27(29,30)20-9-7-17(8-10-20)23-26(34-13-11-16-5-3-12-31-22(16)25(34)35)36-24(33-23)19-14-18-4-1-2-6-21(18)32-15-19/h1-15H.
What are the key properties of 7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one?
7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one has a molecular weight of 484.44 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-quinolin-3-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,7-naphthyridin-8-one is sourced from PubChem (CID 171099094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).