N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide

C28H25N3O — CID 112788926

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C28H25N3O/c1-19-24(17-27(32)29-16-15-21-18-30-25-13-7-5-11-22(21)25)28(20-9-3-2-4-10-20)23-12-6-8-14-26(23)31-19/h2-14,18,30H,15-17H2,1H3,(H,29,32)
InChIKeyIHAQNZWZSCBJLB-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.59
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide (PubChem CID 112788926) has the molecular formula C28H25N3O and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
PubChem CID112788926
Molecular FormulaC28H25N3O
Molecular Weight419.53 g/mol
Exact Mass419.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C28H25N3O/c1-19-24(17-27(32)29-16-15-21-18-30-25-13-7-5-11-22(21)25)28(20-9-3-2-4-10-20)23-12-6-8-14-26(23)31-19/h2-14,18,30H,15-17H2,1H3,(H,29,32)
InChIKeyIHAQNZWZSCBJLB-UHFFFAOYSA-N
XLogP5.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112771444
N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110878183
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-(1H-indol-3-yl)ethyl]-2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
CID 136616626
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 25496428
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate
CID 154030021
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108885678
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499402

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide (CID 112788926) is N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide is Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
The InChIKey is IHAQNZWZSCBJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O/c1-19-24(17-27(32)29-16-15-21-18-30-25-13-7-5-11-22(21)25)28(20-9-3-2-4-10-20)23-12-6-8-14-26(23)31-19/h2-14,18,30H,15-17H2,1H3,(H,29,32).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide has a molecular weight of 419.53 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide is sourced from PubChem (CID 112788926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).