1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea

C20H22N4O — CID 46208984

IUPAC1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
SMILESCn1ccc2c(NC(=O)NCC3CCc4ccccc4N3)cccc21
InChIInChI=1S/C20H22N4O/c1-24-12-11-16-18(7-4-8-19(16)24)23-20(25)21-13-15-10-9-14-5-2-3-6-17(14)22-15/h2-8,11-12,15,22H,9-10,13H2,1H3,(H2,21,23,25)
InChIKeyWRFXKKWSHOYRBV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.73
Rot. Bonds3

About 1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea

1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea (PubChem CID 46208984) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
PubChem CID46208984
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
SMILESCn1ccc2c(NC(=O)NCC3CCc4ccccc4N3)cccc21
InChIInChI=1S/C20H22N4O/c1-24-12-11-16-18(7-4-8-19(16)24)23-20(25)21-13-15-10-9-14-5-2-3-6-17(14)22-15/h2-8,11-12,15,22H,9-10,13H2,1H3,(H2,21,23,25)
InChIKeyWRFXKKWSHOYRBV-UHFFFAOYSA-N
XLogP3.73
TPSA58.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Ko-947
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PF-750
CID 25154868
A804598
CID 53325874
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SB 215505
CID 10449757
1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616033
SB 200646 hydrochloride
CID 5311422
N-(1-Methyl-1H-indol-5-yl)-N'-3-pyridinylurea
CID 126769

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea?
The IUPAC name of 1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea (CID 46208984) is 1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea?
The canonical SMILES for 1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea is Cn1ccc2c(NC(=O)NCC3CCc4ccccc4N3)cccc21.
What is the InChIKey of 1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea?
The InChIKey is WRFXKKWSHOYRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-24-12-11-16-18(7-4-8-19(16)24)23-20(25)21-13-15-10-9-14-5-2-3-6-17(14)22-15/h2-8,11-12,15,22H,9-10,13H2,1H3,(H2,21,23,25).
What are the key properties of 1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea?
1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea has a molecular weight of 334.42 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea is sourced from PubChem (CID 46208984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).