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

C23H19N3O2 — CID 30135841

IUPAC3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N3CCCc4ccccc43)c12
InChIInChI=1S/C23H19N3O2/c1-15-21-18(23(27)26-13-7-11-17-10-5-6-12-20(17)26)14-19(24-22(21)28-25-15)16-8-3-2-4-9-16/h2-6,8-10,12,14H,7,11,13H2,1H3
InChIKeySOONDBBQTJOPMH-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.79
Rot. Bonds2

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

3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 30135841) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID30135841
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N3CCCc4ccccc43)c12
InChIInChI=1S/C23H19N3O2/c1-15-21-18(23(27)26-13-7-11-17-10-5-6-12-20(17)26)14-19(24-22(21)28-25-15)16-8-3-2-4-9-16/h2-6,8-10,12,14H,7,11,13H2,1H3
InChIKeySOONDBBQTJOPMH-UHFFFAOYSA-N
XLogP4.79
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 29406154
(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
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 42446751
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485239
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
ethyl 4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 45493259
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30472364
(4-benzylpiperazin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30697310
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
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 86905236
[4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 38031219

Frequently Asked Questions

What is the IUPAC name of 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 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (CID 30135841) is 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 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 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)N3CCCc4ccccc43)c12.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is SOONDBBQTJOPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-21-18(23(27)26-13-7-11-17-10-5-6-12-20(17)26)14-19(24-22(21)28-25-15)16-8-3-2-4-9-16/h2-6,8-10,12,14H,7,11,13H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
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 369.42 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 30135841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).