1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea

C18H18FN5O — CID 11595264

IUPAC1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea
SMILESCN1CCC(NC(=O)Nc2cccc3[nH]ncc23)c2ccc(F)cc21
InChIInChI=1S/C18H18FN5O/c1-24-8-7-15(12-6-5-11(19)9-17(12)24)22-18(25)21-14-3-2-4-16-13(14)10-20-23-16/h2-6,9-10,15H,7-8H2,1H3,(H,20,23)(H2,21,22,25)
InChIKeyFFCWGBYAHCCERO-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.40
Rot. Bonds2

About 1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea

1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 11595264) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea
PubChem CID11595264
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea
SMILESCN1CCC(NC(=O)Nc2cccc3[nH]ncc23)c2ccc(F)cc21
InChIInChI=1S/C18H18FN5O/c1-24-8-7-15(12-6-5-11(19)9-17(12)24)22-18(25)21-14-3-2-4-16-13(14)10-20-23-16/h2-6,9-10,15H,7-8H2,1H3,(H,20,23)(H2,21,22,25)
InChIKeyFFCWGBYAHCCERO-UHFFFAOYSA-N
XLogP3.40
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-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-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea (CID 11595264) is 1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea is CN1CCC(NC(=O)Nc2cccc3[nH]ncc23)c2ccc(F)cc21.
What is the InChIKey of 1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is FFCWGBYAHCCERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-24-8-7-15(12-6-5-11(19)9-17(12)24)22-18(25)21-14-3-2-4-16-13(14)10-20-23-16/h2-6,9-10,15H,7-8H2,1H3,(H,20,23)(H2,21,22,25).
What are the key properties of 1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea?
1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 339.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11595264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).