[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone

C23H17ClFN3O2 — CID 108811107

IUPAC[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCc3noc(-c4ccc(Cl)cc4)c3C2)c2cc(F)ccc2n1
InChIInChI=1S/C23H17ClFN3O2/c1-13-10-18(17-11-16(25)6-7-20(17)26-13)23(29)28-9-8-21-19(12-28)22(30-27-21)14-2-4-15(24)5-3-14/h2-7,10-11H,8-9,12H2,1H3
InChIKeyKMYMGOODKNEEOU-UHFFFAOYSA-N
MW421.86 g/mol
LogP5.19
Rot. Bonds2

About [3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone

[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone (PubChem CID 108811107) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone
PubChem CID108811107
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC Name[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCc3noc(-c4ccc(Cl)cc4)c3C2)c2cc(F)ccc2n1
InChIInChI=1S/C23H17ClFN3O2/c1-13-10-18(17-11-16(25)6-7-20(17)26-13)23(29)28-9-8-21-19(12-28)22(30-27-21)14-2-4-15(24)5-3-14/h2-7,10-11H,8-9,12H2,1H3
InChIKeyKMYMGOODKNEEOU-UHFFFAOYSA-N
XLogP5.19
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.86
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone with MolForge

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Related Compounds

[2-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]phenyl]-phenylmethanone
CID 108751210
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone
CID 108727008
[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108751163
[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(4-propan-2-ylphenyl)methanone
CID 108727184
[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 108810480
2-chloro-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 108727198
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
CID 108809755
[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108751147
[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(3,4-difluorophenyl)methanone
CID 108743531
methyl 4-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-4-oxobutanoate
CID 108727106
2-(2,5-dichlorophenoxy)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]ethanone
CID 108751267

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone (CID 108811107) is [3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCc3noc(-c4ccc(Cl)cc4)c3C2)c2cc(F)ccc2n1.
What is the InChIKey of [3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone?
The InChIKey is KMYMGOODKNEEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c1-13-10-18(17-11-16(25)6-7-20(17)26-13)23(29)28-9-8-21-19(12-28)22(30-27-21)14-2-4-15(24)5-3-14/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone?
[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone has a molecular weight of 421.86 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 108811107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).