6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline

C19H13F3N2O3 — CID 102359710

IUPAC6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline
SMILESCOc1cc2nc3oc(-c4ccccc4)nc3c(C(F)(F)F)c2cc1OC
InChIInChI=1S/C19H13F3N2O3/c1-25-13-8-11-12(9-14(13)26-2)23-18-16(15(11)19(20,21)22)24-17(27-18)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyOCIDCQSSCMUWND-UHFFFAOYSA-N
MW374.32 g/mol
LogP5.08
Rot. Bonds3

About 6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline

6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline (PubChem CID 102359710) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline
PubChem CID102359710
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Name6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline
SMILESCOc1cc2nc3oc(-c4ccccc4)nc3c(C(F)(F)F)c2cc1OC
InChIInChI=1S/C19H13F3N2O3/c1-25-13-8-11-12(9-14(13)26-2)23-18-16(15(11)19(20,21)22)24-17(27-18)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyOCIDCQSSCMUWND-UHFFFAOYSA-N
XLogP5.08
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.32
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-(trifluoromethyl)-5-(3,4,5-trimethoxyphenoxy)-1,3-oxazole
CID 57113298
6,7-dimethoxy-2-(4-methylphenyl)-3,1-benzoxazin-4-one
CID 678968
6,7,8-trimethoxy-2-[3-(trifluoromethyl)phenyl]-3,1-benzoxazin-4-one
CID 2799160
2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole
CID 14443374
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one
CID 136535466
3-[(E)-(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
CID 135751887
2-[4-[4-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)phenoxy]phenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one
CID 4125069
3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline
CID 56596003
5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole
CID 135041738
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 11370771

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline?
The IUPAC name of 6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline (CID 102359710) is 6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline.
What is the SMILES notation for 6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline?
The canonical SMILES for 6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline is COc1cc2nc3oc(-c4ccccc4)nc3c(C(F)(F)F)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline?
The InChIKey is OCIDCQSSCMUWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c1-25-13-8-11-12(9-14(13)26-2)23-18-16(15(11)19(20,21)22)24-17(27-18)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline?
6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline has a molecular weight of 374.32 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-phenyl-9-(trifluoromethyl)-[1,3]oxazolo[5,4-b]quinoline is sourced from PubChem (CID 102359710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).