3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea

C19H24N6O2 — CID 121495851

IUPAC3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea
SMILESCOCCn1cnnc1CCNC(=O)N(C)Cc1ccnc2ccccc12
InChIInChI=1S/C19H24N6O2/c1-24(13-15-7-9-20-17-6-4-3-5-16(15)17)19(26)21-10-8-18-23-22-14-25(18)11-12-27-2/h3-7,9,14H,8,10-13H2,1-2H3,(H,21,26)
InChIKeyFLXZHQORMJHBRH-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.86
Rot. Bonds8

About 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea

3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea (PubChem CID 121495851) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea
PubChem CID121495851
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea
SMILESCOCCn1cnnc1CCNC(=O)N(C)Cc1ccnc2ccccc12
InChIInChI=1S/C19H24N6O2/c1-24(13-15-7-9-20-17-6-4-3-5-16(15)17)19(26)21-10-8-18-23-22-14-25(18)11-12-27-2/h3-7,9,14H,8,10-13H2,1-2H3,(H,21,26)
InChIKeyFLXZHQORMJHBRH-UHFFFAOYSA-N
XLogP1.86
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea?
The IUPAC name of 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea (CID 121495851) is 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea.
What is the SMILES notation for 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea?
The canonical SMILES for 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea is COCCn1cnnc1CCNC(=O)N(C)Cc1ccnc2ccccc12.
What is the InChIKey of 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea?
The InChIKey is FLXZHQORMJHBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-24(13-15-7-9-20-17-6-4-3-5-16(15)17)19(26)21-10-8-18-23-22-14-25(18)11-12-27-2/h3-7,9,14H,8,10-13H2,1-2H3,(H,21,26).
What are the key properties of 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea?
3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea has a molecular weight of 368.44 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea is sourced from PubChem (CID 121495851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).