7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one

C25H18F2N4O2 — CID 126697950

IUPAC7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2cc(F)c(N)cc2F)ccc2c3oc(-c4cccnc4)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C25H18F2N4O2/c1-12-15(17-9-19(27)20(28)10-18(17)26)6-7-16-22(12)31(14-4-5-14)25(32)21-23(16)33-24(30-21)13-3-2-8-29-11-13/h2-3,6-11,14H,4-5,28H2,1H3
InChIKeyMDXUGZYPGBLWCJ-UHFFFAOYSA-N
MW444.44 g/mol
LogP5.38
Rot. Bonds3

About 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one

7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 126697950) has the molecular formula C25H18F2N4O2 and a molecular weight of 444.44 g/mol. Its IUPAC name is 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID126697950
Molecular FormulaC25H18F2N4O2
Molecular Weight444.44 g/mol
Exact Mass444.14
IUPAC Name7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2cc(F)c(N)cc2F)ccc2c3oc(-c4cccnc4)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C25H18F2N4O2/c1-12-15(17-9-19(27)20(28)10-18(17)26)6-7-16-22(12)31(14-4-5-14)25(32)21-23(16)33-24(30-21)13-3-2-8-29-11-13/h2-3,6-11,14H,4-5,28H2,1H3
InChIKeyMDXUGZYPGBLWCJ-UHFFFAOYSA-N
XLogP5.38
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.44
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 126697950) is 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one is Cc1c(-c2cc(F)c(N)cc2F)ccc2c3oc(-c4cccnc4)nc3c(=O)n(C3CC3)c12.
What is the InChIKey of 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is MDXUGZYPGBLWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O2/c1-12-15(17-9-19(27)20(28)10-18(17)26)6-7-16-22(12)31(14-4-5-14)25(32)21-23(16)33-24(30-21)13-3-2-8-29-11-13/h2-3,6-11,14H,4-5,28H2,1H3.
What are the key properties of 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one?
7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 444.44 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-2,5-difluorophenyl)-5-cyclopropyl-6-methyl-2-pyridin-3-yl-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 126697950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).