1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea

C17H24N4O2 — CID 112975958

IUPAC1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
SMILESCN(C)CCCNC(=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C17H24N4O2/c1-21(2)12-5-10-19-17(22)20-11-13-23-15-8-3-6-14-7-4-9-18-16(14)15/h3-4,6-9H,5,10-13H2,1-2H3,(H2,19,20,22)
InChIKeyZNRIUDYLTKSONR-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.86
Rot. Bonds8

About 1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea

1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea (PubChem CID 112975958) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
PubChem CID112975958
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
SMILESCN(C)CCCNC(=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C17H24N4O2/c1-21(2)12-5-10-19-17(22)20-11-13-23-15-8-3-6-14-7-4-9-18-16(14)15/h3-4,6-9H,5,10-13H2,1-2H3,(H2,19,20,22)
InChIKeyZNRIUDYLTKSONR-UHFFFAOYSA-N
XLogP1.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985
1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112975963
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976070
1-[3-(dimethylamino)propyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972198
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine
CID 111123466

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea (CID 112975958) is 1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea is CN(C)CCCNC(=O)NCCOc1cccc2cccnc12.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea?
The InChIKey is ZNRIUDYLTKSONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-21(2)12-5-10-19-17(22)20-11-13-23-15-8-3-6-14-7-4-9-18-16(14)15/h3-4,6-9H,5,10-13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea?
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea has a molecular weight of 316.40 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea is sourced from PubChem (CID 112975958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).