5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide

C21H14ClN5O2 — CID 108769371

IUPAC5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C21H14ClN5O2/c1-29-18-8-7-15(22)10-16(18)21(28)26-20-14(11-23)12-24-27(20)19-9-6-13-4-2-3-5-17(13)25-19/h2-10,12H,1H3,(H,26,28)
InChIKeyCSMVDDYOTIVUGU-UHFFFAOYSA-N
MW403.83 g/mol
LogP4.21
Rot. Bonds4

About 5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide

5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide (PubChem CID 108769371) has the molecular formula C21H14ClN5O2 and a molecular weight of 403.83 g/mol. Its IUPAC name is 5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide
PubChem CID108769371
Molecular FormulaC21H14ClN5O2
Molecular Weight403.83 g/mol
Exact Mass403.08
IUPAC Name5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C21H14ClN5O2/c1-29-18-8-7-15(22)10-16(18)21(28)26-20-14(11-23)12-24-27(20)19-9-6-13-4-2-3-5-17(13)25-19/h2-10,12H,1H3,(H,26,28)
InChIKeyCSMVDDYOTIVUGU-UHFFFAOYSA-N
XLogP4.21
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide
CID 108747313
[4-[(E)-3-[(4-cyano-1-quinolin-2-ylpyrazol-5-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 108769379
ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate
CID 108747257
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
CID 108779168
N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801781
5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
CID 14089473
N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788906
5-[(3-chloroquinoxalin-2-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
CID 108779190
5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
CID 7754724
(Z)-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 108769375
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide (CID 108769371) is 5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of 5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide?
The InChIKey is CSMVDDYOTIVUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5O2/c1-29-18-8-7-15(22)10-16(18)21(28)26-20-14(11-23)12-24-27(20)19-9-6-13-4-2-3-5-17(13)25-19/h2-10,12H,1H3,(H,26,28).
What are the key properties of 5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide?
5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide has a molecular weight of 403.83 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 108769371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).