N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine

C23H25FN2O3 — CID 146503197

IUPACN-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine
SMILESCOc1ccc2nccc(CCC3OCC(NCc4ccc(F)cc4)CO3)c2c1
InChIInChI=1S/C23H25FN2O3/c1-27-20-7-8-22-21(12-20)17(10-11-25-22)4-9-23-28-14-19(15-29-23)26-13-16-2-5-18(24)6-3-16/h2-3,5-8,10-12,19,23,26H,4,9,13-15H2,1H3
InChIKeyLEANEABYSWTJBY-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.85
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine

N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine (PubChem CID 146503197) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine
PubChem CID146503197
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine
SMILESCOc1ccc2nccc(CCC3OCC(NCc4ccc(F)cc4)CO3)c2c1
InChIInChI=1S/C23H25FN2O3/c1-27-20-7-8-22-21(12-20)17(10-11-25-22)4-9-23-28-14-19(15-29-23)26-13-16-2-5-18(24)6-3-16/h2-3,5-8,10-12,19,23,26H,4,9,13-15H2,1H3
InChIKeyLEANEABYSWTJBY-UHFFFAOYSA-N
XLogP3.85
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine 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

6-methoxy-4-[2-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-2-yl]ethyl]quinoline
CID 158688019
N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide
CID 162655667
N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
CID 166633819
4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline
CID 158901207
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1,3-dioxan-5-amine
CID 146503168
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
(1S)-1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-dioxan-2-yl]-2-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
CID 164626621
N-[(6-methoxyquinolin-4-yl)methyl]azepan-4-amine;propylbenzene
CID 142884526
2-[(3R,4R)-1-[4-(4-fluorophenyl)butyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid
CID 70175251
2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxyquinolin-4-yl)ethyl]oxan-2-yl]acetic acid;dihydrochloride
CID 69184699
2-[3-(1,3-benzodioxol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 21104573
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine (CID 146503197) is N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine is COc1ccc2nccc(CCC3OCC(NCc4ccc(F)cc4)CO3)c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine?
The InChIKey is LEANEABYSWTJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-27-20-7-8-22-21(12-20)17(10-11-25-22)4-9-23-28-14-19(15-29-23)26-13-16-2-5-18(24)6-3-16/h2-3,5-8,10-12,19,23,26H,4,9,13-15H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine?
N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine has a molecular weight of 396.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine is sourced from PubChem (CID 146503197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).