(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

C23H17F2N3O2 — CID 47029825

IUPAC(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N3CCCc4c(F)cc(F)cc43)c12
InChIInChI=1S/C23H17F2N3O2/c1-13-21-17(12-19(26-22(21)30-27-13)14-6-3-2-4-7-14)23(29)28-9-5-8-16-18(25)10-15(24)11-20(16)28/h2-4,6-7,10-12H,5,8-9H2,1H3
InChIKeySVEFDQYXMJJEKJ-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.07
Rot. Bonds2

About (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 47029825) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID47029825
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N3CCCc4c(F)cc(F)cc43)c12
InChIInChI=1S/C23H17F2N3O2/c1-13-21-17(12-19(26-22(21)30-27-13)14-6-3-2-4-7-14)23(29)28-9-5-8-16-18(25)10-15(24)11-20(16)28/h2-4,6-7,10-12H,5,8-9H2,1H3
InChIKeySVEFDQYXMJJEKJ-UHFFFAOYSA-N
XLogP5.07
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30135841
(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 24608313
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30702624
2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 29406154
(4-benzylpiperazin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30697310
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 86905236
ethyl 4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 45493259
[4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 38031219
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 38377787
(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 24644677
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 24678562
[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 51302466

Frequently Asked Questions

What is the IUPAC name of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (CID 47029825) is (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCCc4c(F)cc(F)cc43)c12.
What is the InChIKey of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is SVEFDQYXMJJEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c1-13-21-17(12-19(26-22(21)30-27-13)14-6-3-2-4-7-14)23(29)28-9-5-8-16-18(25)10-15(24)11-20(16)28/h2-4,6-7,10-12H,5,8-9H2,1H3.
What are the key properties of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 405.40 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 47029825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).