1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea

C19H17FN4O — CID 54586457

IUPAC1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea
SMILESCN1CCc2cc(NC(=O)Nc3ccnc4c(F)cccc34)ccc21
InChIInChI=1S/C19H17FN4O/c1-24-10-8-12-11-13(5-6-17(12)24)22-19(25)23-16-7-9-21-18-14(16)3-2-4-15(18)20/h2-7,9,11H,8,10H2,1H3,(H2,21,22,23,25)
InChIKeyKTAXYWQAZGSFPD-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.01
Rot. Bonds2

About 1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea

1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea (PubChem CID 54586457) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea
PubChem CID54586457
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea
SMILESCN1CCc2cc(NC(=O)Nc3ccnc4c(F)cccc34)ccc21
InChIInChI=1S/C19H17FN4O/c1-24-10-8-12-11-13(5-6-17(12)24)22-19(25)23-16-7-9-21-18-14(16)3-2-4-15(18)20/h2-7,9,11H,8,10H2,1H3,(H2,21,22,23,25)
InChIKeyKTAXYWQAZGSFPD-UHFFFAOYSA-N
XLogP4.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea (CID 54586457) is 1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea is CN1CCc2cc(NC(=O)Nc3ccnc4c(F)cccc34)ccc21.
What is the InChIKey of 1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea?
The InChIKey is KTAXYWQAZGSFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-24-10-8-12-11-13(5-6-17(12)24)22-19(25)23-16-7-9-21-18-14(16)3-2-4-15(18)20/h2-7,9,11H,8,10H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea?
1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea has a molecular weight of 336.37 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoroquinolin-4-yl)-3-(1-methyl-2,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 54586457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).