N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide

C24H18N6O2 — CID 108806804

IUPACN-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide
SMILESCc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3ccc4ocnc4c3)cc(C)c2c1
InChIInChI=1S/C24H18N6O2/c1-13-6-15(3)22-18(7-13)14(2)8-21(28-22)30-23(17(10-25)11-27-30)29-24(31)16-4-5-20-19(9-16)26-12-32-20/h4-9,11-12H,1-3H3,(H,29,31)
InChIKeyBRICEFRDTFXOFL-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.61
Rot. Bonds3

About N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide

N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide (PubChem CID 108806804) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide
PubChem CID108806804
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC NameN-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide
SMILESCc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3ccc4ocnc4c3)cc(C)c2c1
InChIInChI=1S/C24H18N6O2/c1-13-6-15(3)22-18(7-13)14(2)8-21(28-22)30-23(17(10-25)11-27-30)29-24(31)16-4-5-20-19(9-16)26-12-32-20/h4-9,11-12H,1-3H3,(H,29,31)
InChIKeyBRICEFRDTFXOFL-UHFFFAOYSA-N
XLogP4.61
TPSA109.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide with MolForge

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Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 108806769
2-(4-bromophenyl)-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108746813
N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108746806
N'-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-N-(4-fluorophenyl)butanediamide
CID 108768998
3-(4-chlorophenoxy)-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide
CID 108746786
N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108768995
3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide
CID 108746807
N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108746795
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108769497
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797995
5-[(6-amino-5-nitropyrimidin-4-yl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carbonitrile
CID 108778836
2-tert-butyl-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108769496

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide (CID 108806804) is N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide is Cc1cc(C)c2nc(-n3ncc(C#N)c3NC(=O)c3ccc4ocnc4c3)cc(C)c2c1.
What is the InChIKey of N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is BRICEFRDTFXOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c1-13-6-15(3)22-18(7-13)14(2)8-21(28-22)30-23(17(10-25)11-27-30)29-24(31)16-4-5-20-19(9-16)26-12-32-20/h4-9,11-12H,1-3H3,(H,29,31).
What are the key properties of N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide?
N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 108806804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).