N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

C26H22N4O — CID 50798360

IUPACN-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccccn4)nc4ccccc34)c2c1
InChIInChI=1S/C26H22N4O/c1-17-9-10-22-20(14-17)18(16-29-22)11-13-28-26(31)21-15-25(24-8-4-5-12-27-24)30-23-7-3-2-6-19(21)23/h2-10,12,14-16,29H,11,13H2,1H3,(H,28,31)
InChIKeyIOFSWXKTSSARMU-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.06
Rot. Bonds5

About N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 50798360) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID50798360
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccccn4)nc4ccccc34)c2c1
InChIInChI=1S/C26H22N4O/c1-17-9-10-22-20(14-17)18(16-29-22)11-13-28-26(31)21-15-25(24-8-4-5-12-27-24)30-23-7-3-2-6-19(21)23/h2-10,12,14-16,29H,11,13H2,1H3,(H,28,31)
InChIKeyIOFSWXKTSSARMU-UHFFFAOYSA-N
XLogP5.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798361
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide
CID 17271835
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261404
N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide
CID 71214926
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578480
6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 46349002
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 53001884
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 50798360) is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is Cc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccccn4)nc4ccccc34)c2c1.
What is the InChIKey of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is IOFSWXKTSSARMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-17-9-10-22-20(14-17)18(16-29-22)11-13-28-26(31)21-15-25(24-8-4-5-12-27-24)30-23-7-3-2-6-19(21)23/h2-10,12,14-16,29H,11,13H2,1H3,(H,28,31).
What are the key properties of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 50798360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).