4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide

C18H15Br2N3O3 — CID 10116729

IUPAC4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(Br)cc3Br)c2cc1OC
InChIInChI=1S/C18H15Br2N3O3/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)
InChIKeyWSSOXFCREKPQBY-UHFFFAOYSA-N
MW481.14 g/mol
LogP4.62
Rot. Bonds5

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

4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide (PubChem CID 10116729) has the molecular formula C18H15Br2N3O3 and a molecular weight of 481.14 g/mol. Its IUPAC name is 4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide
PubChem CID10116729
Molecular FormulaC18H15Br2N3O3
Molecular Weight481.14 g/mol
Exact Mass478.95
IUPAC Name4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(Br)cc3Br)c2cc1OC
InChIInChI=1S/C18H15Br2N3O3/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)
InChIKeyWSSOXFCREKPQBY-UHFFFAOYSA-N
XLogP4.62
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.14
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoic acid
CID 22170208
methyl 4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoate
CID 22170299
3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972
4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 159082888
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
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
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
2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide
CID 22466655

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The IUPAC name of 4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide (CID 10116729) is 4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3ccc(Br)cc3Br)c2cc1OC.
What is the InChIKey of 4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The InChIKey is WSSOXFCREKPQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2N3O3/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-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide?
4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide has a molecular weight of 481.14 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide is sourced from PubChem (CID 10116729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).