4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide

C22H22F2N4O3 — CID 44571306

IUPAC4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCOCC1
InChIInChI=1S/C22H22F2N4O3/c1-2-31-20-11-18-14(10-19(20)28-5-7-30-8-6-28)21(15(12-26-18)22(25)29)27-17-4-3-13(23)9-16(17)24/h3-4,9-12H,2,5-8H2,1H3,(H2,25,29)(H,26,27)
InChIKeyFPNHVYHHWJFIGL-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.59
Rot. Bonds6

About 4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide

4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide (PubChem CID 44571306) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide
PubChem CID44571306
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC Name4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCOCC1
InChIInChI=1S/C22H22F2N4O3/c1-2-31-20-11-18-14(10-19(20)28-5-7-30-8-6-28)21(15(12-26-18)22(25)29)27-17-4-3-13(23)9-16(17)24/h3-4,9-12H,2,5-8H2,1H3,(H2,25,29)(H,26,27)
InChIKeyFPNHVYHHWJFIGL-UHFFFAOYSA-N
XLogP3.59
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide (CID 44571306) is 4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide is CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCOCC1.
What is the InChIKey of 4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide?
The InChIKey is FPNHVYHHWJFIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-2-31-20-11-18-14(10-19(20)28-5-7-30-8-6-28)21(15(12-26-18)22(25)29)27-17-4-3-13(23)9-16(17)24/h3-4,9-12H,2,5-8H2,1H3,(H2,25,29)(H,26,27).
What are the key properties of 4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide?
4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-7-ethoxy-6-morpholin-4-ylquinoline-3-carboxamide is sourced from PubChem (CID 44571306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).