1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea

C17H18ClN3O4 — CID 55745003

IUPAC1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)NCCc1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C17H18ClN3O4/c1-23-16-13(3-2-5-19-16)21-17(22)20-6-4-11-9-12(18)15-14(10-11)24-7-8-25-15/h2-3,5,9-10H,4,6-8H2,1H3,(H2,20,21,22)
InChIKeyFAZCZDOOWRSWRJ-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.88
Rot. Bonds5

About 1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea

1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea (PubChem CID 55745003) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
PubChem CID55745003
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)NCCc1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C17H18ClN3O4/c1-23-16-13(3-2-5-19-16)21-17(22)20-6-4-11-9-12(18)15-14(10-11)24-7-8-25-15/h2-3,5,9-10H,4,6-8H2,1H3,(H2,20,21,22)
InChIKeyFAZCZDOOWRSWRJ-UHFFFAOYSA-N
XLogP2.88
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea with MolForge

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Related Compounds

1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(3-phenoxypropyl)urea
CID 36520782
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-[(3-ethoxyphenyl)methyl]urea
CID 55742781
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 17488428
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55759344
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzamide
CID 18126425
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-phenylbutanamide
CID 55467050
3-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea
CID 55472944
1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192291
(2S)-2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3,3-dimethylbutanamide
CID 119698014
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoylamino]benzoate
CID 113217513

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea (CID 55745003) is 1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea is COc1ncccc1NC(=O)NCCc1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea?
The InChIKey is FAZCZDOOWRSWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-23-16-13(3-2-5-19-16)21-17(22)20-6-4-11-9-12(18)15-14(10-11)24-7-8-25-15/h2-3,5,9-10H,4,6-8H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea?
1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea has a molecular weight of 363.80 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 55745003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).