(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone

C21H20N2O3 — CID 99811747

IUPAC(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
SMILESCOc1cccc2c1N(C(=O)c1oc(-c3ccccc3)nc1C)CCC2
InChIInChI=1S/C21H20N2O3/c1-14-19(26-20(22-14)16-8-4-3-5-9-16)21(24)23-13-7-11-15-10-6-12-17(25-2)18(15)23/h3-6,8-10,12H,7,11,13H2,1-2H3
InChIKeyXRJYHPURVXEZKJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.25
Rot. Bonds3

About (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone

(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 99811747) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
PubChem CID99811747
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
SMILESCOc1cccc2c1N(C(=O)c1oc(-c3ccccc3)nc1C)CCC2
InChIInChI=1S/C21H20N2O3/c1-14-19(26-20(22-14)16-8-4-3-5-9-16)21(24)23-13-7-11-15-10-6-12-17(25-2)18(15)23/h3-6,8-10,12H,7,11,13H2,1-2H3
InChIKeyXRJYHPURVXEZKJ-UHFFFAOYSA-N
XLogP4.25
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone (CID 99811747) is (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone is COc1cccc2c1N(C(=O)c1oc(-c3ccccc3)nc1C)CCC2.
What is the InChIKey of (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone?
The InChIKey is XRJYHPURVXEZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-19(26-20(22-14)16-8-4-3-5-9-16)21(24)23-13-7-11-15-10-6-12-17(25-2)18(15)23/h3-6,8-10,12H,7,11,13H2,1-2H3.
What are the key properties of (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone?
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone has a molecular weight of 348.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 99811747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).