4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide

C25H28F2N4O2 — CID 69041955

IUPAC4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1CCCN1CCCCC1
InChIInChI=1S/C25H28F2N4O2/c1-33-23-14-22-18(12-16(23)6-5-11-31-9-3-2-4-10-31)24(19(15-29-22)25(28)32)30-21-8-7-17(26)13-20(21)27/h7-8,12-15H,2-6,9-11H2,1H3,(H2,28,32)(H,29,30)
InChIKeyISXQEMFTMOZQBW-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.78
Rot. Bonds8

About 4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide

4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide (PubChem CID 69041955) has the molecular formula C25H28F2N4O2 and a molecular weight of 454.52 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
PubChem CID69041955
Molecular FormulaC25H28F2N4O2
Molecular Weight454.52 g/mol
Exact Mass454.22
IUPAC Name4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1CCCN1CCCCC1
InChIInChI=1S/C25H28F2N4O2/c1-33-23-14-22-18(12-16(23)6-5-11-31-9-3-2-4-10-31)24(19(15-29-22)25(28)32)30-21-8-7-17(26)13-20(21)27/h7-8,12-15H,2-6,9-11H2,1H3,(H2,28,32)(H,29,30)
InChIKeyISXQEMFTMOZQBW-UHFFFAOYSA-N
XLogP4.78
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide (CID 69041955) is 4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1CCCN1CCCCC1.
What is the InChIKey of 4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide?
The InChIKey is ISXQEMFTMOZQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O2/c1-33-23-14-22-18(12-16(23)6-5-11-31-9-3-2-4-10-31)24(19(15-29-22)25(28)32)30-21-8-7-17(26)13-20(21)27/h7-8,12-15H,2-6,9-11H2,1H3,(H2,28,32)(H,29,30).
What are the key properties of 4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide?
4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide has a molecular weight of 454.52 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide is sourced from PubChem (CID 69041955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).