1-(2-methoxyethyl)-3-quinolin-3-ylurea

C13H15N3O2 — CID 175700628

IUPAC1-(2-methoxyethyl)-3-quinolin-3-ylurea
SMILESCOCCNC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H15N3O2/c1-18-7-6-14-13(17)16-11-8-10-4-2-3-5-12(10)15-9-11/h2-5,8-9H,6-7H2,1H3,(H2,14,16,17)
InChIKeyIIYGDHWENZCMQP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.00
Rot. Bonds4

About 1-(2-methoxyethyl)-3-quinolin-3-ylurea

1-(2-methoxyethyl)-3-quinolin-3-ylurea (PubChem CID 175700628) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-quinolin-3-ylurea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-quinolin-3-ylurea
PubChem CID175700628
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(2-methoxyethyl)-3-quinolin-3-ylurea
SMILESCOCCNC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H15N3O2/c1-18-7-6-14-13(17)16-11-8-10-4-2-3-5-12(10)15-9-11/h2-5,8-9H,6-7H2,1H3,(H2,14,16,17)
InChIKeyIIYGDHWENZCMQP-UHFFFAOYSA-N
XLogP2.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea
CID 140892825
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
methyl N-quinolin-3-ylcarbamate
CID 19697860
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779
2-(2-methoxyethoxy)-N-quinolin-3-ylpyridine-3-carboxamide
CID 60566317
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
CID 62806519
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea
CID 175700641
4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide
CID 56684183
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
N-(3-methoxypropyl)-2-quinolin-3-yloxyacetamide
CID 110488006

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-quinolin-3-ylurea?
The IUPAC name of 1-(2-methoxyethyl)-3-quinolin-3-ylurea (CID 175700628) is 1-(2-methoxyethyl)-3-quinolin-3-ylurea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-quinolin-3-ylurea?
The canonical SMILES for 1-(2-methoxyethyl)-3-quinolin-3-ylurea is COCCNC(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 1-(2-methoxyethyl)-3-quinolin-3-ylurea?
The InChIKey is IIYGDHWENZCMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-7-6-14-13(17)16-11-8-10-4-2-3-5-12(10)15-9-11/h2-5,8-9H,6-7H2,1H3,(H2,14,16,17).
What are the key properties of 1-(2-methoxyethyl)-3-quinolin-3-ylurea?
1-(2-methoxyethyl)-3-quinolin-3-ylurea has a molecular weight of 245.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-quinolin-3-ylurea is sourced from PubChem (CID 175700628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).