N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide

C24H24N4O — CID 19512043

IUPACN-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)Nc3c(C)cccc3C)c3ccccc3n2)c1C
InChIInChI=1S/C24H24N4O/c1-5-28-17(4)20(14-25-28)22-13-19(18-11-6-7-12-21(18)26-22)24(29)27-23-15(2)9-8-10-16(23)3/h6-14H,5H2,1-4H3,(H,27,29)
InChIKeyLDKUEJUHPGJVRY-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.30
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide

N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512043) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512043
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)Nc3c(C)cccc3C)c3ccccc3n2)c1C
InChIInChI=1S/C24H24N4O/c1-5-28-17(4)20(14-25-28)22-13-19(18-11-6-7-12-21(18)26-22)24(29)27-23-15(2)9-8-10-16(23)3/h6-14H,5H2,1-4H3,(H,27,29)
InChIKeyLDKUEJUHPGJVRY-UHFFFAOYSA-N
XLogP5.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512000
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 19512303
2-(1-ethyl-5-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19512119
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 19512079
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 19512081
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19512084
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 19512183
N-[3-(dimethylamino)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512118
2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
CID 19512586
methyl 1-ethyl-4-[[2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]pyrazole-3-carboxylate
CID 19512247
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)quinoline-4-carboxamide
CID 19512302

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512043) is N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide is CCn1ncc(-c2cc(C(=O)Nc3c(C)cccc3C)c3ccccc3n2)c1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is LDKUEJUHPGJVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-5-28-17(4)20(14-25-28)22-13-19(18-11-6-7-12-21(18)26-22)24(29)27-23-15(2)9-8-10-16(23)3/h6-14H,5H2,1-4H3,(H,27,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).