3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone

C20H18N2O2 — CID 1093789

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1
InChIInChI=1S/C20H18N2O2/c1-14-8-10-16(11-9-14)19-13-17(21-24-19)20(23)22-12-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-11,13H,4,6,12H2,1H3
InChIKeyUWPVCRCVQCPTCT-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.24
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 1093789) 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-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID1093789
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1
InChIInChI=1S/C20H18N2O2/c1-14-8-10-16(11-9-14)19-13-17(21-24-19)20(23)22-12-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-11,13H,4,6,12H2,1H3
InChIKeyUWPVCRCVQCPTCT-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-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone (CID 1093789) is 3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is UWPVCRCVQCPTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14-8-10-16(11-9-14)19-13-17(21-24-19)20(23)22-12-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-11,13H,4,6,12H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-(4-methylphenyl)-1,2-oxazol-3-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-(4-methylphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 1093789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).