1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea

C26H23F2N3O2 — CID 155589332

IUPAC1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
SMILESCCC(O)CNC(=O)Nc1ccc2nc(-c3ccccc3F)c(-c3ccccc3F)cc2c1
InChIInChI=1S/C26H23F2N3O2/c1-2-18(32)15-29-26(33)30-17-11-12-24-16(13-17)14-21(19-7-3-5-9-22(19)27)25(31-24)20-8-4-6-10-23(20)28/h3-14,18,32H,2,15H2,1H3,(H2,29,30,33)
InChIKeyBXEHJJDAJGGAOG-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.74
Rot. Bonds6

About 1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea

1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea (PubChem CID 155589332) has the molecular formula C26H23F2N3O2 and a molecular weight of 447.49 g/mol. Its IUPAC name is 1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
PubChem CID155589332
Molecular FormulaC26H23F2N3O2
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
SMILESCCC(O)CNC(=O)Nc1ccc2nc(-c3ccccc3F)c(-c3ccccc3F)cc2c1
InChIInChI=1S/C26H23F2N3O2/c1-2-18(32)15-29-26(33)30-17-11-12-24-16(13-17)14-21(19-7-3-5-9-22(19)27)25(31-24)20-8-4-6-10-23(20)28/h3-14,18,32H,2,15H2,1H3,(H2,29,30,33)
InChIKeyBXEHJJDAJGGAOG-UHFFFAOYSA-N
XLogP5.74
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-fluorophenyl)-2-(4-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
CID 155589258
1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
CID 155589318
3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide
CID 155589240
1-butyl-3-[3-(2-fluorophenyl)-2-methylquinolin-6-yl]urea
CID 155589229
1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea
CID 155589157
1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
CID 111119363
2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid
CID 65222360
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 111446739
1-[3-(ethoxymethyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110923034
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea?
The IUPAC name of 1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea (CID 155589332) is 1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea.
What is the SMILES notation for 1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea?
The canonical SMILES for 1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea is CCC(O)CNC(=O)Nc1ccc2nc(-c3ccccc3F)c(-c3ccccc3F)cc2c1.
What is the InChIKey of 1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea?
The InChIKey is BXEHJJDAJGGAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2/c1-2-18(32)15-29-26(33)30-17-11-12-24-16(13-17)14-21(19-7-3-5-9-22(19)27)25(31-24)20-8-4-6-10-23(20)28/h3-14,18,32H,2,15H2,1H3,(H2,29,30,33).
What are the key properties of 1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea?
1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea has a molecular weight of 447.49 g/mol, XLogP of 5.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea is sourced from PubChem (CID 155589332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).