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

C23H24FN3O3 — CID 53001712

IUPAC[4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c(OC)c1
InChIInChI=1S/C23H24FN3O3/c1-29-16-7-9-20(21(13-16)30-2)26-22-17-12-15(24)6-8-19(17)25-14-18(22)23(28)27-10-4-3-5-11-27/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,26)
InChIKeyWOPVNTWECKPOOC-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.76
Rot. Bonds5

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

[4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 53001712) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is [4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID53001712
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name[4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c(OC)c1
InChIInChI=1S/C23H24FN3O3/c1-29-16-7-9-20(21(13-16)30-2)26-22-17-12-15(24)6-8-19(17)25-14-18(22)23(28)27-10-4-3-5-11-27/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,26)
InChIKeyWOPVNTWECKPOOC-UHFFFAOYSA-N
XLogP4.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone (CID 53001712) is [4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone is COc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c(OC)c1.
What is the InChIKey of [4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is WOPVNTWECKPOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-29-16-7-9-20(21(13-16)30-2)26-22-17-12-15(24)6-8-19(17)25-14-18(22)23(28)27-10-4-3-5-11-27/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,25,26).
What are the key properties of [4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone?
[4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 409.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethoxyanilino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53001712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).