7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline

C20H17N3O — CID 70691951

IUPAC7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline
SMILESCCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C20H17N3O/c1-2-24-17-8-9-19-18(10-11-21-20(19)12-17)15-13-22-23(14-15)16-6-4-3-5-7-16/h3-14H,2H2,1H3
InChIKeyZDSJHTPIUSUYSG-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.49
Rot. Bonds4

About 7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline

7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline (PubChem CID 70691951) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline
PubChem CID70691951
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline
SMILESCCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C20H17N3O/c1-2-24-17-8-9-19-18(10-11-21-20(19)12-17)15-13-22-23(14-15)16-6-4-3-5-7-16/h3-14H,2H2,1H3
InChIKeyZDSJHTPIUSUYSG-UHFFFAOYSA-N
XLogP4.49
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
7-Benzyloxyquinoline
CID 3035604
2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
1-(4-Methyl-piperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinolin-7-yloxy]-ethanone
CID 10276818
4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11196622
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
LY2109761
CID 11655119
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline?
The IUPAC name of 7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline (CID 70691951) is 7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline.
What is the SMILES notation for 7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline?
The canonical SMILES for 7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline is CCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1.
What is the InChIKey of 7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline?
The InChIKey is ZDSJHTPIUSUYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-24-17-8-9-19-18(10-11-21-20(19)12-17)15-13-22-23(14-15)16-6-4-3-5-7-16/h3-14H,2H2,1H3.
What are the key properties of 7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline?
7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline has a molecular weight of 315.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4-(1-phenylpyrazol-4-yl)quinoline is sourced from PubChem (CID 70691951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).