1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea

C16H25N3O — CID 81423135

IUPAC1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCCc1cccc2c1NCCC2
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)16(20)18-12-10-14-8-5-7-13-9-6-11-17-15(13)14/h5,7-8,17H,3-4,6,9-12H2,1-2H3,(H,18,20)
InChIKeyHINFYHUYZZOVGN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.64
Rot. Bonds5

About 1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea

1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea (PubChem CID 81423135) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea
PubChem CID81423135
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCCc1cccc2c1NCCC2
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)16(20)18-12-10-14-8-5-7-13-9-6-11-17-15(13)14/h5,7-8,17H,3-4,6,9-12H2,1-2H3,(H,18,20)
InChIKeyHINFYHUYZZOVGN-UHFFFAOYSA-N
XLogP2.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea (CID 81423135) is 1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea is CCN(CC)C(=O)NCCc1cccc2c1NCCC2.
What is the InChIKey of 1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea?
The InChIKey is HINFYHUYZZOVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19(4-2)16(20)18-12-10-14-8-5-7-13-9-6-11-17-15(13)14/h5,7-8,17H,3-4,6,9-12H2,1-2H3,(H,18,20).
What are the key properties of 1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea?
1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea has a molecular weight of 275.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea is sourced from PubChem (CID 81423135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).