4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide

C24H27FN4O2 — CID 24984558

IUPAC4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(C)CC1
InChIInChI=1S/C24H27FN4O2/c1-14-4-5-20(19(25)10-14)28-23-17-11-16(15-6-8-29(2)9-7-15)22(31-3)12-21(17)27-13-18(23)24(26)30/h4-5,10-13,15H,6-9H2,1-3H3,(H2,26,30)(H,27,28)
InChIKeyUIIYMAHLFBYVEA-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.34
Rot. Bonds5

About 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide

4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide (PubChem CID 24984558) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
PubChem CID24984558
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(C)CC1
InChIInChI=1S/C24H27FN4O2/c1-14-4-5-20(19(25)10-14)28-23-17-11-16(15-6-8-29(2)9-7-15)22(31-3)12-21(17)27-13-18(23)24(26)30/h4-5,10-13,15H,6-9H2,1-3H3,(H2,26,30)(H,27,28)
InChIKeyUIIYMAHLFBYVEA-UHFFFAOYSA-N
XLogP4.34
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide (CID 24984558) is 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(C)CC1.
What is the InChIKey of 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide?
The InChIKey is UIIYMAHLFBYVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-14-4-5-20(19(25)10-14)28-23-17-11-16(15-6-8-29(2)9-7-15)22(31-3)12-21(17)27-13-18(23)24(26)30/h4-5,10-13,15H,6-9H2,1-3H3,(H2,26,30)(H,27,28).
What are the key properties of 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide?
4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 24984558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).