5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one

C20H15FN2O3 — CID 126717503

IUPAC5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCOc1ccc(-c2cc3c(cc2F)c2ocnc2c(=O)n3C2CC2)cc1
InChIInChI=1S/C20H15FN2O3/c1-25-13-6-2-11(3-7-13)14-9-17-15(8-16(14)21)19-18(22-10-26-19)20(24)23(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3
InChIKeyAGMDJNFQFFRXJS-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.29
Rot. Bonds3

About 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one

5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 126717503) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID126717503
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCOc1ccc(-c2cc3c(cc2F)c2ocnc2c(=O)n3C2CC2)cc1
InChIInChI=1S/C20H15FN2O3/c1-25-13-6-2-11(3-7-13)14-9-17-15(8-16(14)21)19-18(22-10-26-19)20(24)23(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3
InChIKeyAGMDJNFQFFRXJS-UHFFFAOYSA-N
XLogP4.29
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126717312
tert-butyl N-[5-(5-cyclopropyl-8-fluoro-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 126696510
7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126717286
7-[3-(aminomethyl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methoxy-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 118446693
7-(2-amino-3H-benzimidazol-5-yl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126696619
3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one
CID 86300289
2-amino-5-(5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl)benzonitrile
CID 162666616
5-cyclopropyl-7-[2,5-difluoro-4-(hydroxymethyl)phenyl]-[1,3]oxaborolo[4,5-c]quinolin-4-one
CID 144942095
(2S)-6-(4-amino-2,5-difluorophenyl)-2-methyl-4,11-dioxa-1,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5,7,9(16),10(14),12-pentaen-15-one
CID 126717558
4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one
CID 157452235
9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426900
1-tert-butyl-6-fluoro-7-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 71588152

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 126717503) is 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one is COc1ccc(-c2cc3c(cc2F)c2ocnc2c(=O)n3C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is AGMDJNFQFFRXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c1-25-13-6-2-11(3-7-13)14-9-17-15(8-16(14)21)19-18(22-10-26-19)20(24)23(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3.
What are the key properties of 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 350.35 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 126717503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).