6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline

C21H23N3O2 — CID 121305362

IUPAC6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(COc2cn[nH]c2-c2ccc3c(c2)CCCN3C)cc1
InChIInChI=1S/C21H23N3O2/c1-24-11-3-4-16-12-17(7-10-19(16)24)21-20(13-22-23-21)26-14-15-5-8-18(25-2)9-6-15/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,22,23)
InChIKeyDWGCQNZSQDXICI-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.05
Rot. Bonds5

About 6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline

6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 121305362) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID121305362
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(COc2cn[nH]c2-c2ccc3c(c2)CCCN3C)cc1
InChIInChI=1S/C21H23N3O2/c1-24-11-3-4-16-12-17(7-10-19(16)24)21-20(13-22-23-21)26-14-15-5-8-18(25-2)9-6-15/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,22,23)
InChIKeyDWGCQNZSQDXICI-UHFFFAOYSA-N
XLogP4.05
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline (CID 121305362) is 6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline is COc1ccc(COc2cn[nH]c2-c2ccc3c(c2)CCCN3C)cc1.
What is the InChIKey of 6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is DWGCQNZSQDXICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24-11-3-4-16-12-17(7-10-19(16)24)21-20(13-22-23-21)26-14-15-5-8-18(25-2)9-6-15/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,22,23).
What are the key properties of 6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline?
6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 349.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-methoxyphenyl)methoxy]-1H-pyrazol-5-yl]-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121305362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).