1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline

C20H21N3O — CID 155418659

IUPAC1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline
SMILESCC1CCc2c(ccc(-c3ccn[nH]3)c2Oc2ccccc2)N1C
InChIInChI=1S/C20H21N3O/c1-14-8-9-17-19(23(14)2)11-10-16(18-12-13-21-22-18)20(17)24-15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3,(H,21,22)
InChIKeyYROXOZQWMAKXPU-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.64
Rot. Bonds3

About 1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline

1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline (PubChem CID 155418659) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline
PubChem CID155418659
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline
SMILESCC1CCc2c(ccc(-c3ccn[nH]3)c2Oc2ccccc2)N1C
InChIInChI=1S/C20H21N3O/c1-14-8-9-17-19(23(14)2)11-10-16(18-12-13-21-22-18)20(17)24-15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3,(H,21,22)
InChIKeyYROXOZQWMAKXPU-UHFFFAOYSA-N
XLogP4.64
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline (CID 155418659) is 1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline is CC1CCc2c(ccc(-c3ccn[nH]3)c2Oc2ccccc2)N1C.
What is the InChIKey of 1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is YROXOZQWMAKXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-8-9-17-19(23(14)2)11-10-16(18-12-13-21-22-18)20(17)24-15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3,(H,21,22).
What are the key properties of 1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline?
1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 319.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 155418659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).