1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine

C27H25F2N3O — CID 171352990

IUPAC1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine
SMILESCOc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1
InChIInChI=1S/C27H25F2N3O/c1-33-23-4-2-3-17(13-23)18-5-6-26-24(14-18)27(32-9-7-22(30)8-10-32)25(16-31-26)19-11-20(28)15-21(29)12-19/h2-6,11-16,22H,7-10,30H2,1H3
InChIKeyPRWZVZWQSRHWCY-UHFFFAOYSA-N
MW445.51 g/mol
LogP5.78
Rot. Bonds4

About 1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine

1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine (PubChem CID 171352990) has the molecular formula C27H25F2N3O and a molecular weight of 445.51 g/mol. Its IUPAC name is 1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine
PubChem CID171352990
Molecular FormulaC27H25F2N3O
Molecular Weight445.51 g/mol
Exact Mass445.20
IUPAC Name1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine
SMILESCOc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1
InChIInChI=1S/C27H25F2N3O/c1-33-23-4-2-3-17(13-23)18-5-6-26-24(14-18)27(32-9-7-22(30)8-10-32)25(16-31-26)19-11-20(28)15-21(29)12-19/h2-6,11-16,22H,7-10,30H2,1H3
InChIKeyPRWZVZWQSRHWCY-UHFFFAOYSA-N
XLogP5.78
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-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

CID 134168328
CID 134168328
CID 125497
CID 125497
CID 2834440
CID 2834440
CID 10354094
CID 10354094
CID 17754398
CID 17754398
CID 44472991
CID 44472991
CID 10200109
CID 10200109
CID 52936831
CID 52936831
CID 223614
CID 223614
CID 10496398
CID 10496398
CID 44434727
CID 44434727
CID 52941983
CID 52941983

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine?
The IUPAC name of 1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine (CID 171352990) is 1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine is COc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1.
What is the InChIKey of 1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine?
The InChIKey is PRWZVZWQSRHWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O/c1-33-23-4-2-3-17(13-23)18-5-6-26-24(14-18)27(32-9-7-22(30)8-10-32)25(16-31-26)19-11-20(28)15-21(29)12-19/h2-6,11-16,22H,7-10,30H2,1H3.
What are the key properties of 1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine?
1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine has a molecular weight of 445.51 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quinolin-4-yl]piperidin-4-amine is sourced from PubChem (CID 171352990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).