4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide

C25H28F2N4O2 — CID 24984715

IUPAC4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C(C)C)CC1
InChIInChI=1S/C25H28F2N4O2/c1-14(2)31-8-6-15(7-9-31)17-11-18-22(12-23(17)33-3)29-13-19(25(28)32)24(18)30-21-5-4-16(26)10-20(21)27/h4-5,10-15H,6-9H2,1-3H3,(H2,28,32)(H,29,30)
InChIKeyGQQWASWZMFYGRQ-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.95
Rot. Bonds6

About 4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide

4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide (PubChem CID 24984715) 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-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide
PubChem CID24984715
Molecular FormulaC25H28F2N4O2
Molecular Weight454.52 g/mol
Exact Mass454.22
IUPAC Name4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C(C)C)CC1
InChIInChI=1S/C25H28F2N4O2/c1-14(2)31-8-6-15(7-9-31)17-11-18-22(12-23(17)33-3)29-13-19(25(28)32)24(18)30-21-5-4-16(26)10-20(21)27/h4-5,10-15H,6-9H2,1-3H3,(H2,28,32)(H,29,30)
InChIKeyGQQWASWZMFYGRQ-UHFFFAOYSA-N
XLogP4.95
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.95
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-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide (CID 24984715) is 4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C(C)C)CC1.
What is the InChIKey of 4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide?
The InChIKey is GQQWASWZMFYGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O2/c1-14(2)31-8-6-15(7-9-31)17-11-18-22(12-23(17)33-3)29-13-19(25(28)32)24(18)30-21-5-4-16(26)10-20(21)27/h4-5,10-15H,6-9H2,1-3H3,(H2,28,32)(H,29,30).
What are the key properties of 4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide?
4-(2,4-difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide has a molecular weight of 454.52 g/mol, XLogP of 4.95, 6 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-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 24984715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).