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

C23H18F2N4O2 — CID 69044084

IUPAC4-(2,4-difluoroanilino)-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1-c1cccnc1
InChIInChI=1S/C23H18F2N4O2/c1-2-31-21-10-20-16(9-15(21)13-4-3-7-27-11-13)22(17(12-28-20)23(26)30)29-19-6-5-14(24)8-18(19)25/h3-12H,2H2,1H3,(H2,26,30)(H,28,29)
InChIKeyWWQDCVCZGLHVNT-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.82
Rot. Bonds6

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

4-(2,4-difluoroanilino)-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide (PubChem CID 69044084) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide
PubChem CID69044084
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name4-(2,4-difluoroanilino)-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1-c1cccnc1
InChIInChI=1S/C23H18F2N4O2/c1-2-31-21-10-20-16(9-15(21)13-4-3-7-27-11-13)22(17(12-28-20)23(26)30)29-19-6-5-14(24)8-18(19)25/h3-12H,2H2,1H3,(H2,26,30)(H,28,29)
InChIKeyWWQDCVCZGLHVNT-UHFFFAOYSA-N
XLogP4.82
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.82
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-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide (CID 69044084) is 4-(2,4-difluoroanilino)-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide is CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1-c1cccnc1.
What is the InChIKey of 4-(2,4-difluoroanilino)-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide?
The InChIKey is WWQDCVCZGLHVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c1-2-31-21-10-20-16(9-15(21)13-4-3-7-27-11-13)22(17(12-28-20)23(26)30)29-19-6-5-14(24)8-18(19)25/h3-12H,2H2,1H3,(H2,26,30)(H,28,29).
What are the key properties of 4-(2,4-difluoroanilino)-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide?
4-(2,4-difluoroanilino)-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.82, 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-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide is sourced from PubChem (CID 69044084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).