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

C20H18N2O2 — CID 736339

IUPAC3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H18N2O2/c1-14-18(19(21-24-14)16-9-3-2-4-10-16)20(23)22-13-7-11-15-8-5-6-12-17(15)22/h2-6,8-10,12H,7,11,13H2,1H3
InChIKeyGWJWEIZZKNTXHF-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.24
Rot. Bonds2

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

3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 736339) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID736339
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H18N2O2/c1-14-18(19(21-24-14)16-9-3-2-4-10-16)20(23)22-13-7-11-15-8-5-6-12-17(15)22/h2-6,8-10,12H,7,11,13H2,1H3
InChIKeyGWJWEIZZKNTXHF-UHFFFAOYSA-N
XLogP4.24
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 736339) is 3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is GWJWEIZZKNTXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14-18(19(21-24-14)16-9-3-2-4-10-16)20(23)22-13-7-11-15-8-5-6-12-17(15)22/h2-6,8-10,12H,7,11,13H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 736339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).