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

C21H18N4O2 — CID 70683529

IUPAC[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C21H18N4O2/c1-24(2)21(26)27-17-8-9-19-18(10-11-22-20(19)12-17)15-13-23-25(14-15)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyQKXVLCDXRQTXMX-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.15
Rot. Bonds3

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

[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate (PubChem CID 70683529) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate
PubChem CID70683529
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C21H18N4O2/c1-24(2)21(26)27-17-8-9-19-18(10-11-22-20(19)12-17)15-13-23-25(14-15)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyQKXVLCDXRQTXMX-UHFFFAOYSA-N
XLogP4.15
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone
CID 70683518
4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]morpholine
CID 70683517
quinolin-7-yl N,N-dimethylcarbamate
CID 11218314
4-(1-pyridin-2-ylpyrazol-4-yl)quinoline
CID 70689779
[4-(4-quinoxalin-2-ylpyrazol-1-yl)phenyl] N-ethyl-N-methylcarbamate
CID 67562719
2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
CID 82039922
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
N,N-dimethyl-2-[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetamide
CID 9033760
5-fluoro-2-(1-phenylpyrazol-4-yl)benzoic acid
CID 61026437
ethyl 4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]benzoate
CID 57477744
methyl 3-[methyl(propan-2-yl)amino]-2-(1-phenylpyrazol-4-yl)quinoxaline-6-carboxylate
CID 70664837
3,4-dimethoxy-5-(1-phenylpyrazol-4-yl)benzaldehyde
CID 82039924

Frequently Asked Questions

What is the IUPAC name of [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate?
The IUPAC name of [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate (CID 70683529) is [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate?
The canonical SMILES for [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1.
What is the InChIKey of [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate?
The InChIKey is QKXVLCDXRQTXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-24(2)21(26)27-17-8-9-19-18(10-11-22-20(19)12-17)15-13-23-25(14-15)16-6-4-3-5-7-16/h3-14H,1-2H3.
What are the key properties of [4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate?
[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate has a molecular weight of 358.40 g/mol, XLogP of 4.15, 3 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-dimethylcarbamate is sourced from PubChem (CID 70683529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).