N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C26H20N6O4 — CID 108769565

IUPACN-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCOc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)CCN3C(=O)c4ccccc4C3=O)nc12
InChIInChI=1S/C26H20N6O4/c1-15-12-21(29-23-17(15)8-5-9-20(23)36-2)32-24(16(13-27)14-28-32)30-22(33)10-11-31-25(34)18-6-3-4-7-19(18)26(31)35/h3-9,12,14H,10-11H2,1-2H3,(H,30,33)
InChIKeyHQKONWCFIDLTFZ-UHFFFAOYSA-N
MW480.48 g/mol
LogP3.23
Rot. Bonds6

About N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 108769565) has the molecular formula C26H20N6O4 and a molecular weight of 480.48 g/mol. Its IUPAC name is N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID108769565
Molecular FormulaC26H20N6O4
Molecular Weight480.48 g/mol
Exact Mass480.15
IUPAC NameN-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCOc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)CCN3C(=O)c4ccccc4C3=O)nc12
InChIInChI=1S/C26H20N6O4/c1-15-12-21(29-23-17(15)8-5-9-20(23)36-2)32-24(16(13-27)14-28-32)30-22(33)10-11-31-25(34)18-6-3-4-7-19(18)26(31)35/h3-9,12,14H,10-11H2,1-2H3,(H,30,33)
InChIKeyHQKONWCFIDLTFZ-UHFFFAOYSA-N
XLogP3.23
TPSA130.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108768995
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108747495
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108747482
2-chloroethyl N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]carbamate
CID 108747474
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108747503
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108747519
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-(4-methoxyphenoxy)butanamide
CID 108769476
2-cyano-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108769426
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797999
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-methyl-3,5-dinitrobenzamide
CID 108747463
3-(1,3-dioxoisoindol-2-yl)-N-(8-methoxy-2-methylquinolin-4-yl)propanamide
CID 39849507
N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide
CID 108784040

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 108769565) is N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)CCN3C(=O)c4ccccc4C3=O)nc12.
What is the InChIKey of N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is HQKONWCFIDLTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O4/c1-15-12-21(29-23-17(15)8-5-9-20(23)36-2)32-24(16(13-27)14-28-32)30-22(33)10-11-31-25(34)18-6-3-4-7-19(18)26(31)35/h3-9,12,14H,10-11H2,1-2H3,(H,30,33).
What are the key properties of N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 480.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 108769565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).