[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C20H16Cl2N2O2 — CID 1118280

IUPAC[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H16Cl2N2O2/c1-12-17(19(23-26-12)18-14(21)8-4-9-15(18)22)20(25)24-11-5-7-13-6-2-3-10-16(13)24/h2-4,6,8-10H,5,7,11H2,1H3
InChIKeySAUNPZCNPGMKFS-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.55
Rot. Bonds2

About [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 1118280) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID1118280
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC Name[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H16Cl2N2O2/c1-12-17(19(23-26-12)18-14(21)8-4-9-15(18)22)20(25)24-11-5-7-13-6-2-3-10-16(13)24/h2-4,6,8-10H,5,7,11H2,1H3
InChIKeySAUNPZCNPGMKFS-UHFFFAOYSA-N
XLogP5.55
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 1118280) is [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCCc2ccccc21.
What is the InChIKey of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is SAUNPZCNPGMKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c1-12-17(19(23-26-12)18-14(21)8-4-9-15(18)22)20(25)24-11-5-7-13-6-2-3-10-16(13)24/h2-4,6,8-10H,5,7,11H2,1H3.
What are the key properties of [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 387.27 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 1118280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).