7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one

C20H15F2N3O2 — CID 126717286

IUPAC7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2cc(F)c(N)c(F)c2)ccc2c3ocnc3c(=O)n(C3CC3)c12
InChIInChI=1S/C20H15F2N3O2/c1-9-12(10-6-14(21)16(23)15(22)7-10)4-5-13-18(9)25(11-2-3-11)20(26)17-19(13)27-8-24-17/h4-8,11H,2-3,23H2,1H3
InChIKeyYUHGMHCBWYSEMA-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.31
Rot. Bonds2

About 7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one

7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 126717286) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID126717286
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2cc(F)c(N)c(F)c2)ccc2c3ocnc3c(=O)n(C3CC3)c12
InChIInChI=1S/C20H15F2N3O2/c1-9-12(10-6-14(21)16(23)15(22)7-10)4-5-13-18(9)25(11-2-3-11)20(26)17-19(13)27-8-24-17/h4-8,11H,2-3,23H2,1H3
InChIKeyYUHGMHCBWYSEMA-UHFFFAOYSA-N
XLogP4.31
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 126717286) is 7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is Cc1c(-c2cc(F)c(N)c(F)c2)ccc2c3ocnc3c(=O)n(C3CC3)c12.
What is the InChIKey of 7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is YUHGMHCBWYSEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c1-9-12(10-6-14(21)16(23)15(22)7-10)4-5-13-18(9)25(11-2-3-11)20(26)17-19(13)27-8-24-17/h4-8,11H,2-3,23H2,1H3.
What are the key properties of 7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 367.36 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 126717286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).