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

C16H22N4O2 — CID 112975956

IUPAC1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
SMILESCN(C)CCNC(=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C16H22N4O2/c1-20(2)11-9-18-16(21)19-10-12-22-14-7-3-5-13-6-4-8-17-15(13)14/h3-8H,9-12H2,1-2H3,(H2,18,19,21)
InChIKeyYZJOWOFQKFVFNC-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.47
Rot. Bonds7

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

1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea (PubChem CID 112975956) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
PubChem CID112975956
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
SMILESCN(C)CCNC(=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C16H22N4O2/c1-20(2)11-9-18-16(21)19-10-12-22-14-7-3-5-13-6-4-8-17-15(13)14/h3-8H,9-12H2,1-2H3,(H2,18,19,21)
InChIKeyYZJOWOFQKFVFNC-UHFFFAOYSA-N
XLogP1.47
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.47
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-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
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-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976098
1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976043
1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974406
2-quinolin-8-yloxyethylhydrazine
CID 82126133

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea (CID 112975956) is 1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea is CN(C)CCNC(=O)NCCOc1cccc2cccnc12.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea?
The InChIKey is YZJOWOFQKFVFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-20(2)11-9-18-16(21)19-10-12-22-14-7-3-5-13-6-4-8-17-15(13)14/h3-8H,9-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea?
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea has a molecular weight of 302.38 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea is sourced from PubChem (CID 112975956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).