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

C24H27F2N5O2 — CID 44571222

IUPAC4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCCN1CCCCC1
InChIInChI=1S/C24H27F2N5O2/c1-33-22-13-20-16(12-21(22)28-7-10-31-8-3-2-4-9-31)23(17(14-29-20)24(27)32)30-19-6-5-15(25)11-18(19)26/h5-6,11-14,28H,2-4,7-10H2,1H3,(H2,27,32)(H,29,30)
InChIKeyIQRQPBXCRBANDP-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.26
Rot. Bonds8

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

4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide (PubChem CID 44571222) has the molecular formula C24H27F2N5O2 and a molecular weight of 455.51 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide
PubChem CID44571222
Molecular FormulaC24H27F2N5O2
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCCN1CCCCC1
InChIInChI=1S/C24H27F2N5O2/c1-33-22-13-20-16(12-21(22)28-7-10-31-8-3-2-4-9-31)23(17(14-29-20)24(27)32)30-19-6-5-15(25)11-18(19)26/h5-6,11-14,28H,2-4,7-10H2,1H3,(H2,27,32)(H,29,30)
InChIKeyIQRQPBXCRBANDP-UHFFFAOYSA-N
XLogP4.26
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide (CID 44571222) is 4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCCN1CCCCC1.
What is the InChIKey of 4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide?
The InChIKey is IQRQPBXCRBANDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2/c1-33-22-13-20-16(12-21(22)28-7-10-31-8-3-2-4-9-31)23(17(14-29-20)24(27)32)30-19-6-5-15(25)11-18(19)26/h5-6,11-14,28H,2-4,7-10H2,1H3,(H2,27,32)(H,29,30).
What are the key properties of 4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide?
4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.26, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-7-methoxy-6-(2-piperidin-1-ylethylamino)quinoline-3-carboxamide is sourced from PubChem (CID 44571222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).