1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea

C13H19N3O — CID 28786606

IUPAC1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
SMILESCCCNC(=O)Nc1cccc2c1CCCN2
InChIInChI=1S/C13H19N3O/c1-2-8-15-13(17)16-12-7-3-6-11-10(12)5-4-9-14-11/h3,6-7,14H,2,4-5,8-9H2,1H3,(H2,15,16,17)
InChIKeyRQSWIHKBKVGLDQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.58
Rot. Bonds3

About 1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea

1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea (PubChem CID 28786606) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea.

Molecular Properties

Compound Name1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
PubChem CID28786606
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
SMILESCCCNC(=O)Nc1cccc2c1CCCN2
InChIInChI=1S/C13H19N3O/c1-2-8-15-13(17)16-12-7-3-6-11-10(12)5-4-9-14-11/h3,6-7,14H,2,4-5,8-9H2,1H3,(H2,15,16,17)
InChIKeyRQSWIHKBKVGLDQ-UHFFFAOYSA-N
XLogP2.58
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea?
The IUPAC name of 1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea (CID 28786606) is 1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea.
What is the SMILES notation for 1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea?
The canonical SMILES for 1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea is CCCNC(=O)Nc1cccc2c1CCCN2.
What is the InChIKey of 1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea?
The InChIKey is RQSWIHKBKVGLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-8-15-13(17)16-12-7-3-6-11-10(12)5-4-9-14-11/h3,6-7,14H,2,4-5,8-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea?
1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea has a molecular weight of 233.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea is sourced from PubChem (CID 28786606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).