[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate

C23H22N4O2 — CID 70689822

IUPAC[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C23H22N4O2/c1-3-26(4-2)23(28)29-19-10-11-21-20(12-13-24-22(21)14-19)17-15-25-27(16-17)18-8-6-5-7-9-18/h5-16H,3-4H2,1-2H3
InChIKeyIQYZBAXXCRDYQA-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.93
Rot. Bonds5

About [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate

[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate (PubChem CID 70689822) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate
PubChem CID70689822
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C23H22N4O2/c1-3-26(4-2)23(28)29-19-10-11-21-20(12-13-24-22(21)14-19)17-15-25-27(16-17)18-8-6-5-7-9-18/h5-16H,3-4H2,1-2H3
InChIKeyIQYZBAXXCRDYQA-UHFFFAOYSA-N
XLogP4.93
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate?
The IUPAC name of [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate (CID 70689822) is [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate.
What is the SMILES notation for [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate?
The canonical SMILES for [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1.
What is the InChIKey of [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate?
The InChIKey is IQYZBAXXCRDYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-3-26(4-2)23(28)29-19-10-11-21-20(12-13-24-22(21)14-19)17-15-25-27(16-17)18-8-6-5-7-9-18/h5-16H,3-4H2,1-2H3.
What are the key properties of [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate?
[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate has a molecular weight of 386.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate is sourced from PubChem (CID 70689822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).