1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen

C25H24F2N4O — CID 163372176

IUPAC1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen
SMILESO=C(NCC1CC1)Nc1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.[H][H].[H][H]
InChIInChI=1S/C25H20F2N4O.2H2/c26-18-7-3-16(4-8-18)23-24(17-5-9-19(27)10-6-17)31-22-13-20(11-12-21(22)30-23)29-25(32)28-14-15-1-2-15;;/h3-13,15H,1-2,14H2,(H2,28,29,32);2*1H
InChIKeyQXIQBWYZPAHBLY-UHFFFAOYSA-N
MW434.49 g/mol
LogP6.27
Rot. Bonds5

About 1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen

1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen (PubChem CID 163372176) has the molecular formula C25H24F2N4O and a molecular weight of 434.49 g/mol. Its IUPAC name is 1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen.

Molecular Properties

Compound Name1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen
PubChem CID163372176
Molecular FormulaC25H24F2N4O
Molecular Weight434.49 g/mol
Exact Mass434.19
IUPAC Name1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen
SMILESO=C(NCC1CC1)Nc1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.[H][H].[H][H]
InChIInChI=1S/C25H20F2N4O.2H2/c26-18-7-3-16(4-8-18)23-24(17-5-9-19(27)10-6-17)31-22-13-20(11-12-21(22)30-23)29-25(32)28-14-15-1-2-15;;/h3-13,15H,1-2,14H2,(H2,28,29,32);2*1H
InChIKeyQXIQBWYZPAHBLY-UHFFFAOYSA-N
XLogP6.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(pyridin-4-ylmethyl)urea
CID 163372167
[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]carbamic acid
CID 118453878
1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(2-piperazin-1-ylethyl)urea
CID 156743585
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333
1-[3-[[[[[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]amino]-hydroxymethyl]amino]methyl]piperidin-1-yl]ethanone
CID 177047594
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
4-(cyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 107795723
1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen?
The IUPAC name of 1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen (CID 163372176) is 1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen.
What is the SMILES notation for 1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen?
The canonical SMILES for 1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen is O=C(NCC1CC1)Nc1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1.[H][H].[H][H].
What is the InChIKey of 1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen?
The InChIKey is QXIQBWYZPAHBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O.2H2/c26-18-7-3-16(4-8-18)23-24(17-5-9-19(27)10-6-17)31-22-13-20(11-12-21(22)30-23)29-25(32)28-14-15-1-2-15;;/h3-13,15H,1-2,14H2,(H2,28,29,32);2*1H.
What are the key properties of 1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen?
1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen has a molecular weight of 434.49 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(cyclopropylmethyl)urea;molecular hydrogen is sourced from PubChem (CID 163372176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).