N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide

C26H25N3O — CID 17349145

IUPACN-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)cc1
InChIInChI=1S/C26H25N3O/c1-4-17(2)19-8-10-21(11-9-19)28-26(30)23-16-24(20-12-14-27-15-13-20)29-25-18(3)6-5-7-22(23)25/h5-17H,4H2,1-3H3,(H,28,30)
InChIKeyDPBOHQSQHAQXQG-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.37
Rot. Bonds5

About N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide

N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 17349145) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID17349145
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)cc1
InChIInChI=1S/C26H25N3O/c1-4-17(2)19-8-10-21(11-9-19)28-26(30)23-16-24(20-12-14-27-15-13-20)29-25-18(3)6-5-7-22(23)25/h5-17H,4H2,1-3H3,(H,28,30)
InChIKeyDPBOHQSQHAQXQG-UHFFFAOYSA-N
XLogP6.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3554541
8-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261330
N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 81481600
2-bromo-N-(4-butan-2-ylphenyl)-3-methylbenzamide
CID 107982420
N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
CID 4028729
8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17371730
ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 17372871
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4641636
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
CID 3639002
8-methyl-N',2-diphenylquinoline-4-carbohydrazide
CID 4554842
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 17349145) is N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide is CCC(C)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is DPBOHQSQHAQXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-4-17(2)19-8-10-21(11-9-19)28-26(30)23-16-24(20-12-14-27-15-13-20)29-25-18(3)6-5-7-22(23)25/h5-17H,4H2,1-3H3,(H,28,30).
What are the key properties of N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 17349145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).