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

C20H18ClF2N3 — CID 140836925

IUPAC1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine
SMILESNC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H18ClF2N3/c21-13-1-2-19-17(9-13)20(26-5-3-16(24)4-6-26)18(11-25-19)12-7-14(22)10-15(23)8-12/h1-2,7-11,16H,3-6,24H2
InChIKeyGKMJDDGKJJWAFL-UHFFFAOYSA-N
MW373.83 g/mol
LogP4.76
Rot. Bonds2

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

1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine (PubChem CID 140836925) has the molecular formula C20H18ClF2N3 and a molecular weight of 373.83 g/mol. Its IUPAC name is 1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine
PubChem CID140836925
Molecular FormulaC20H18ClF2N3
Molecular Weight373.83 g/mol
Exact Mass373.12
IUPAC Name1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine
SMILESNC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H18ClF2N3/c21-13-1-2-19-17(9-13)20(26-5-3-16(24)4-6-26)18(11-25-19)12-7-14(22)10-15(23)8-12/h1-2,7-11,16H,3-6,24H2
InChIKeyGKMJDDGKJJWAFL-UHFFFAOYSA-N
XLogP4.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.83
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine?
The IUPAC name of 1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine (CID 140836925) is 1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine is NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine?
The InChIKey is GKMJDDGKJJWAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3/c21-13-1-2-19-17(9-13)20(26-5-3-16(24)4-6-26)18(11-25-19)12-7-14(22)10-15(23)8-12/h1-2,7-11,16H,3-6,24H2.
What are the key properties of 1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine?
1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine has a molecular weight of 373.83 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-amine is sourced from PubChem (CID 140836925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).