1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea

C23H24N4O — CID 86875692

IUPAC1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
SMILESCc1ccc2c(CCNC(=O)NCCc3cccc4cccnc34)c[nH]c2c1
InChIInChI=1S/C23H24N4O/c1-16-7-8-20-19(15-27-21(20)14-16)10-13-26-23(28)25-12-9-18-5-2-4-17-6-3-11-24-22(17)18/h2-8,11,14-15,27H,9-10,12-13H2,1H3,(H2,25,26,28)
InChIKeyWNZYKVYDNOUXOH-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.11
Rot. Bonds6

About 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea

1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea (PubChem CID 86875692) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
PubChem CID86875692
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
SMILESCc1ccc2c(CCNC(=O)NCCc3cccc4cccnc34)c[nH]c2c1
InChIInChI=1S/C23H24N4O/c1-16-7-8-20-19(15-27-21(20)14-16)10-13-26-23(28)25-12-9-18-5-2-4-17-6-3-11-24-22(17)18/h2-8,11,14-15,27H,9-10,12-13H2,1H3,(H2,25,26,28)
InChIKeyWNZYKVYDNOUXOH-UHFFFAOYSA-N
XLogP4.11
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea with MolForge

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Related Compounds

1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-8-ylacetamide
CID 51320623
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 111505645
1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875661
1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
CID 47042479
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110996112
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111974265
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111973756
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86886216

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea?
The IUPAC name of 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea (CID 86875692) is 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea.
What is the SMILES notation for 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea?
The canonical SMILES for 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea is Cc1ccc2c(CCNC(=O)NCCc3cccc4cccnc34)c[nH]c2c1.
What is the InChIKey of 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea?
The InChIKey is WNZYKVYDNOUXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-7-8-20-19(15-27-21(20)14-16)10-13-26-23(28)25-12-9-18-5-2-4-17-6-3-11-24-22(17)18/h2-8,11,14-15,27H,9-10,12-13H2,1H3,(H2,25,26,28).
What are the key properties of 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea?
1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea has a molecular weight of 372.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea is sourced from PubChem (CID 86875692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).