3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one

C20H18N2O3 — CID 110680888

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H18N2O3/c1-21-18(17(20(24)25-21)15-9-3-2-4-10-15)19(23)22-13-7-11-14-8-5-6-12-16(14)22/h2-6,8-10,12H,7,11,13H2,1H3
InChIKeyUHMPTZXFDBHXOD-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.24
Rot. Bonds2

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one (PubChem CID 110680888) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one
PubChem CID110680888
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H18N2O3/c1-21-18(17(20(24)25-21)15-9-3-2-4-10-15)19(23)22-13-7-11-14-8-5-6-12-16(14)22/h2-6,8-10,12H,7,11,13H2,1H3
InChIKeyUHMPTZXFDBHXOD-UHFFFAOYSA-N
XLogP3.24
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one (CID 110680888) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one is Cn1oc(=O)c(-c2ccccc2)c1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one?
The InChIKey is UHMPTZXFDBHXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-21-18(17(20(24)25-21)15-9-3-2-4-10-15)19(23)22-13-7-11-14-8-5-6-12-16(14)22/h2-6,8-10,12H,7,11,13H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one has a molecular weight of 334.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 110680888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).