bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane

C25H30BrFNO3P — CID 142709376

IUPACbromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane
SMILESCCOP(Br)(Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)(OCC)OCC
InChIInChI=1S/C25H30BrFNO3P/c1-4-29-32(26,30-5-2,31-6-3)17-22-24(18-13-15-20(27)16-14-18)21-9-7-8-10-23(21)28-25(22)19-11-12-19/h7-10,13-16,19H,4-6,11-12,17H2,1-3H3
InChIKeyGEANEITYPHQZHL-UHFFFAOYSA-N
MW522.40 g/mol
LogP8.14
Rot. Bonds10

About bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane

bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane (PubChem CID 142709376) has the molecular formula C25H30BrFNO3P and a molecular weight of 522.40 g/mol. Its IUPAC name is bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane.

Molecular Properties

Compound Namebromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane
PubChem CID142709376
Molecular FormulaC25H30BrFNO3P
Molecular Weight522.40 g/mol
Exact Mass521.11
IUPAC Namebromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane
SMILESCCOP(Br)(Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)(OCC)OCC
InChIInChI=1S/C25H30BrFNO3P/c1-4-29-32(26,30-5-2,31-6-3)17-22-24(18-13-15-20(27)16-14-18)21-9-7-8-10-23(21)28-25(22)19-11-12-19/h7-10,13-16,19H,4-6,11-12,17H2,1-3H3
InChIKeyGEANEITYPHQZHL-UHFFFAOYSA-N
XLogP8.14
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.40
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-3-(diethoxyphosphorylmethyl)-4-(4-fluorophenyl)quinoline
CID 46897065
2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline
CID 87120778
2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-amine
CID 163732207
[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium
CID 87095849
2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline
CID 123797068
(E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-en-1-ol
CID 15480490
(E)-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-1-ene-3,5-diol
CID 22412416
1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol
CID 66714892
[4-(4-fluorophenyl)-2-propylquinolin-3-yl]methanol
CID 15125323
ethyl (Z,3S,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
CID 97041538
ethyl (Z,5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-hydroxy-3-oxohept-6-enoate
CID 97041195
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733

Frequently Asked Questions

What is the IUPAC name of bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane?
The IUPAC name of bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane (CID 142709376) is bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane.
What is the SMILES notation for bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane?
The canonical SMILES for bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane is CCOP(Br)(Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)(OCC)OCC.
What is the InChIKey of bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane?
The InChIKey is GEANEITYPHQZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrFNO3P/c1-4-29-32(26,30-5-2,31-6-3)17-22-24(18-13-15-20(27)16-14-18)21-9-7-8-10-23(21)28-25(22)19-11-12-19/h7-10,13-16,19H,4-6,11-12,17H2,1-3H3.
What are the key properties of bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane?
bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane has a molecular weight of 522.40 g/mol, XLogP of 8.14, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane is sourced from PubChem (CID 142709376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).