1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea

C19H18FN3O2 — CID 86802588

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
SMILESO=C1CCc2cc(NC(=O)NC3Cc4ccccc4C3)c(F)cc2N1
InChIInChI=1S/C19H18FN3O2/c20-15-10-16-13(5-6-18(24)22-16)9-17(15)23-19(25)21-14-7-11-3-1-2-4-12(11)8-14/h1-4,9-10,14H,5-8H2,(H,22,24)(H2,21,23,25)
InChIKeyLLONBGLPIVFBJK-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.00
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea

1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea (PubChem CID 86802588) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
PubChem CID86802588
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
SMILESO=C1CCc2cc(NC(=O)NC3Cc4ccccc4C3)c(F)cc2N1
InChIInChI=1S/C19H18FN3O2/c20-15-10-16-13(5-6-18(24)22-16)9-17(15)23-19(25)21-14-7-11-3-1-2-4-12(11)8-14/h1-4,9-10,14H,5-8H2,(H,22,24)(H2,21,23,25)
InChIKeyLLONBGLPIVFBJK-UHFFFAOYSA-N
XLogP3.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea (CID 86802588) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea is O=C1CCc2cc(NC(=O)NC3Cc4ccccc4C3)c(F)cc2N1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea?
The InChIKey is LLONBGLPIVFBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-10-16-13(5-6-18(24)22-16)9-17(15)23-19(25)21-14-7-11-3-1-2-4-12(11)8-14/h1-4,9-10,14H,5-8H2,(H,22,24)(H2,21,23,25).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea?
1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea has a molecular weight of 339.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea is sourced from PubChem (CID 86802588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).