4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide

C18H16FN3O3 — CID 10132097

IUPAC4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(F)c3)c2cc1OC
InChIInChI=1S/C18H16FN3O3/c1-24-15-7-12-14(8-16(15)25-2)21-9-13(18(20)23)17(12)22-11-5-3-4-10(19)6-11/h3-9H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyYXLJPFPPJKMUSW-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.23
Rot. Bonds5

About 4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide

4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide (PubChem CID 10132097) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
PubChem CID10132097
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(F)c3)c2cc1OC
InChIInChI=1S/C18H16FN3O3/c1-24-15-7-12-14(8-16(15)25-2)21-9-13(18(20)23)17(12)22-11-5-3-4-10(19)6-11/h3-9H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyYXLJPFPPJKMUSW-UHFFFAOYSA-N
XLogP3.23
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide (CID 10132097) is 4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3cccc(F)c3)c2cc1OC.
What is the InChIKey of 4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The InChIKey is YXLJPFPPJKMUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-24-15-7-12-14(8-16(15)25-2)21-9-13(18(20)23)17(12)22-11-5-3-4-10(19)6-11/h3-9H,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide is sourced from PubChem (CID 10132097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).