1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone

C20H19N3O2 — CID 110371938

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone
SMILESCc1oc(-c2cccnc2)nc1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H19N3O2/c1-14-17(22-20(25-14)16-7-4-10-21-13-16)12-19(24)23-11-5-8-15-6-2-3-9-18(15)23/h2-4,6-7,9-10,13H,5,8,11-12H2,1H3
InChIKeyAUTOKBAPTMPLPV-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.57
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone (PubChem CID 110371938) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone
PubChem CID110371938
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone
SMILESCc1oc(-c2cccnc2)nc1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H19N3O2/c1-14-17(22-20(25-14)16-7-4-10-21-13-16)12-19(24)23-11-5-8-15-6-2-3-9-18(15)23/h2-4,6-7,9-10,13H,5,8,11-12H2,1H3
InChIKeyAUTOKBAPTMPLPV-UHFFFAOYSA-N
XLogP3.57
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone with MolForge

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Related Compounds

2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 110371859
N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55513246
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone
CID 30867769
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone
CID 133273214
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918626
1-(4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 123308015
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413223
2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)-N-(1-phenylethyl)acetamide
CID 110371879
N-(2-bromophenyl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371988
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120730344
N-butyl-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371856

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone (CID 110371938) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone is Cc1oc(-c2cccnc2)nc1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone?
The InChIKey is AUTOKBAPTMPLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-17(22-20(25-14)16-7-4-10-21-13-16)12-19(24)23-11-5-8-15-6-2-3-9-18(15)23/h2-4,6-7,9-10,13H,5,8,11-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone has a molecular weight of 333.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 110371938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).