1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea

C16H16FN3O — CID 63901955

IUPAC1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C16H16FN3O/c17-13-2-5-14(6-3-13)19-16(21)20-15-4-1-11-7-8-18-10-12(11)9-15/h1-6,9,18H,7-8,10H2,(H2,19,20,21)
InChIKeyIXLCPRXEXYRQEU-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.12
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea

1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea (PubChem CID 63901955) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
PubChem CID63901955
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C16H16FN3O/c17-13-2-5-14(6-3-13)19-16(21)20-15-4-1-11-7-8-18-10-12(11)9-15/h1-6,9,18H,7-8,10H2,(H2,19,20,21)
InChIKeyIXLCPRXEXYRQEU-UHFFFAOYSA-N
XLogP3.12
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea (CID 63901955) is 1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea is O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CNCC2.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea?
The InChIKey is IXLCPRXEXYRQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-13-2-5-14(6-3-13)19-16(21)20-15-4-1-11-7-8-18-10-12(11)9-15/h1-6,9,18H,7-8,10H2,(H2,19,20,21).
What are the key properties of 1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea?
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea has a molecular weight of 285.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea is sourced from PubChem (CID 63901955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).