4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide

C18H15F2N3O3 — CID 44570972

IUPAC4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cc(F)cc(F)c3)c2cc1OC
InChIInChI=1S/C18H15F2N3O3/c1-25-15-6-12-14(7-16(15)26-2)22-8-13(18(21)24)17(12)23-11-4-9(19)3-10(20)5-11/h3-8H,1-2H3,(H2,21,24)(H,22,23)
InChIKeySIJSEVYTHQJYDJ-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.37
Rot. Bonds5

About 4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide

4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide (PubChem CID 44570972) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
PubChem CID44570972
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cc(F)cc(F)c3)c2cc1OC
InChIInChI=1S/C18H15F2N3O3/c1-25-15-6-12-14(7-16(15)26-2)22-8-13(18(21)24)17(12)23-11-4-9(19)3-10(20)5-11/h3-8H,1-2H3,(H2,21,24)(H,22,23)
InChIKeySIJSEVYTHQJYDJ-UHFFFAOYSA-N
XLogP3.37
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-anilino-6,7-dimethoxyquinoline-3-carboxamide;4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide;4-(2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 158844867
4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10116729
4-(3-chloro-4-fluoroanilino)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinoline-3-carboxamide
CID 44571099
methyl 4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoate
CID 22170299
4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoic acid
CID 22170208
3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide
CID 22170196
7-(3-aminopropoxy)-4-(2-ethylanilino)-6-methoxyquinoline-3-carboxamide
CID 10178758
4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide
CID 10222250
[3-carbamoyl-4-(2-ethylanilino)-7-methoxyquinolin-6-yl] propane-2-sulfonate
CID 86621016

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The IUPAC name of 4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide (CID 44570972) is 4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3cc(F)cc(F)c3)c2cc1OC.
What is the InChIKey of 4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The InChIKey is SIJSEVYTHQJYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-25-15-6-12-14(7-16(15)26-2)22-8-13(18(21)24)17(12)23-11-4-9(19)3-10(20)5-11/h3-8H,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide is sourced from PubChem (CID 44570972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).