[4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone

C24H26FN3O3 — CID 71700076

IUPAC[4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c(OC)c1
InChIInChI=1S/C24H26FN3O3/c1-30-18-8-6-16(22(13-18)31-2)14-27-23-19-12-17(25)7-9-21(19)26-15-20(23)24(29)28-10-4-3-5-11-28/h6-9,12-13,15H,3-5,10-11,14H2,1-2H3,(H,26,27)
InChIKeyCQCYTZVVVAPNCW-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.63
Rot. Bonds6

About [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone

[4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 71700076) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID71700076
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name[4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c(OC)c1
InChIInChI=1S/C24H26FN3O3/c1-30-18-8-6-16(22(13-18)31-2)14-27-23-19-12-17(25)7-9-21(19)26-15-20(23)24(29)28-10-4-3-5-11-28/h6-9,12-13,15H,3-5,10-11,14H2,1-2H3,(H,26,27)
InChIKeyCQCYTZVVVAPNCW-UHFFFAOYSA-N
XLogP4.63
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone (CID 71700076) is [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone is COc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c(OC)c1.
What is the InChIKey of [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is CQCYTZVVVAPNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-30-18-8-6-16(22(13-18)31-2)14-27-23-19-12-17(25)7-9-21(19)26-15-20(23)24(29)28-10-4-3-5-11-28/h6-9,12-13,15H,3-5,10-11,14H2,1-2H3,(H,26,27).
What are the key properties of [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
[4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 423.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71700076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).