4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide

C18H15ClFN3O3 — CID 22170305

IUPAC4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3F)c2cc1OC
InChIInChI=1S/C18H15ClFN3O3/c1-25-15-6-10-14(7-16(15)26-2)22-8-11(18(21)24)17(10)23-13-4-3-9(19)5-12(13)20/h3-8H,1-2H3,(H2,21,24)(H,22,23)
InChIKeySSSQBBWJMZYDLU-UHFFFAOYSA-N
MW375.79 g/mol
LogP3.89
Rot. Bonds5

About 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide

4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide (PubChem CID 22170305) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
PubChem CID22170305
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC Name4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3F)c2cc1OC
InChIInChI=1S/C18H15ClFN3O3/c1-25-15-6-10-14(7-16(15)26-2)22-8-11(18(21)24)17(10)23-13-4-3-9(19)5-12(13)20/h3-8H,1-2H3,(H2,21,24)(H,22,23)
InChIKeySSSQBBWJMZYDLU-UHFFFAOYSA-N
XLogP3.89
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The IUPAC name of 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide (CID 22170305) is 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3F)c2cc1OC.
What is the InChIKey of 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The InChIKey is SSSQBBWJMZYDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c1-25-15-6-10-14(7-16(15)26-2)22-8-11(18(21)24)17(10)23-13-4-3-9(19)5-12(13)20/h3-8H,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide has a molecular weight of 375.79 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide is sourced from PubChem (CID 22170305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).