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

C23H24FN3O3 — CID 53333901

IUPAC[4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)c(OC)c1
InChIInChI=1S/C23H24FN3O3/c1-29-17-7-5-15(21(12-17)30-2)13-26-22-18-11-16(24)6-8-20(18)25-14-19(22)23(28)27-9-3-4-10-27/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,25,26)
InChIKeyBGUZUBGXSXQKTA-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.24
Rot. Bonds6

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

[4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53333901) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID53333901
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name[4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)c(OC)c1
InChIInChI=1S/C23H24FN3O3/c1-29-17-7-5-15(21(12-17)30-2)13-26-22-18-11-16(24)6-8-20(18)25-14-19(22)23(28)27-9-3-4-10-27/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,25,26)
InChIKeyBGUZUBGXSXQKTA-UHFFFAOYSA-N
XLogP4.24
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.24
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]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone (CID 53333901) is [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone is COc1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)c(OC)c1.
What is the InChIKey of [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BGUZUBGXSXQKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-29-17-7-5-15(21(12-17)30-2)13-26-22-18-11-16(24)6-8-20(18)25-14-19(22)23(28)27-9-3-4-10-27/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,25,26).
What are the key properties of [4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone?
[4-[(2,4-dimethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 409.46 g/mol, XLogP of 4.24, 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53333901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).