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

C25H19ClN4O — CID 50798361

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C25H19ClN4O/c26-17-8-9-21-19(13-17)16(15-29-21)10-12-28-25(31)20-14-24(23-7-3-4-11-27-23)30-22-6-2-1-5-18(20)22/h1-9,11,13-15,29H,10,12H2,(H,28,31)
InChIKeyLGCIJYLWRILWII-UHFFFAOYSA-N
MW426.91 g/mol
LogP5.40
Rot. Bonds5

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 50798361) has the molecular formula C25H19ClN4O and a molecular weight of 426.91 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID50798361
Molecular FormulaC25H19ClN4O
Molecular Weight426.91 g/mol
Exact Mass426.12
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C25H19ClN4O/c26-17-8-9-21-19(13-17)16(15-29-21)10-12-28-25(31)20-14-24(23-7-3-4-11-27-23)30-22-6-2-1-5-18(20)22/h1-9,11,13-15,29H,10,12H2,(H,28,31)
InChIKeyLGCIJYLWRILWII-UHFFFAOYSA-N
XLogP5.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.91
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798360
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide
CID 17271835
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 41359467
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 166231909
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006219
5-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2,4-thiadiazole-3-carboxamide
CID 66831924
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 50798361) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is LGCIJYLWRILWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O/c26-17-8-9-21-19(13-17)16(15-29-21)10-12-28-25(31)20-14-24(23-7-3-4-11-27-23)30-22-6-2-1-5-18(20)22/h1-9,11,13-15,29H,10,12H2,(H,28,31).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 426.91 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 50798361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).