[1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol

C26H25FN2OS — CID 143429010

IUPAC[1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol
SMILESCCC(NC(O)c1c(SC)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C26H25FN2OS/c1-3-21(18-12-9-13-19(27)16-18)29-26(30)23-20-14-7-8-15-22(20)28-24(25(23)31-2)17-10-5-4-6-11-17/h4-16,21,26,29-30H,3H2,1-2H3
InChIKeyZQCWIUOXKQEWFO-UHFFFAOYSA-N
MW432.56 g/mol
LogP6.49
Rot. Bonds7

About [1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol

[1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol (PubChem CID 143429010) has the molecular formula C26H25FN2OS and a molecular weight of 432.56 g/mol. Its IUPAC name is [1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol.

Molecular Properties

Compound Name[1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol
PubChem CID143429010
Molecular FormulaC26H25FN2OS
Molecular Weight432.56 g/mol
Exact Mass432.17
IUPAC Name[1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol
SMILESCCC(NC(O)c1c(SC)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C26H25FN2OS/c1-3-21(18-12-9-13-19(27)16-18)29-26(30)23-20-14-7-8-15-22(20)28-24(25(23)31-2)17-10-5-4-6-11-17/h4-16,21,26,29-30H,3H2,1-2H3
InChIKeyZQCWIUOXKQEWFO-UHFFFAOYSA-N
XLogP6.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol 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

N-[1-(3-fluorophenyl)propyl]-3-(methanesulfonamido)-2-phenylquinoline-4-carboxamide
CID 23649190
2-(3-fluorophenyl)-3-methylsulfinyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 53317131
2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 11646686
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871093
3-[1-(3-fluorophenyl)propylamino]pentan-1-ol
CID 114871859
3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
CID 114871634
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774
2-[4-[[(S)-cyclopropyl-(3-fluorophenyl)methyl]carbamoyl]-2-phenylquinolin-3-yl]acetic acid
CID 70326634
2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 114871461

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol?
The IUPAC name of [1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol (CID 143429010) is [1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol.
What is the SMILES notation for [1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol?
The canonical SMILES for [1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol is CCC(NC(O)c1c(SC)c(-c2ccccc2)nc2ccccc12)c1cccc(F)c1.
What is the InChIKey of [1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol?
The InChIKey is ZQCWIUOXKQEWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2OS/c1-3-21(18-12-9-13-19(27)16-18)29-26(30)23-20-14-7-8-15-22(20)28-24(25(23)31-2)17-10-5-4-6-11-17/h4-16,21,26,29-30H,3H2,1-2H3.
What are the key properties of [1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol?
[1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol has a molecular weight of 432.56 g/mol, XLogP of 6.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)propylamino]-(3-methylsulfanyl-2-phenylquinolin-4-yl)methanol is sourced from PubChem (CID 143429010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).