4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide

C18H16BrN3O2 — CID 22170303

IUPAC4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2ncc(C(N)=O)c(Nc3ccc(Br)cc3C)c2c1
InChIInChI=1S/C18H16BrN3O2/c1-10-7-11(19)3-5-15(10)22-17-13-8-12(24-2)4-6-16(13)21-9-14(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyYKHJNUCYELRSPR-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.16
Rot. Bonds4

About 4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide

4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide (PubChem CID 22170303) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide
PubChem CID22170303
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2ncc(C(N)=O)c(Nc3ccc(Br)cc3C)c2c1
InChIInChI=1S/C18H16BrN3O2/c1-10-7-11(19)3-5-15(10)22-17-13-8-12(24-2)4-6-16(13)21-9-14(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyYKHJNUCYELRSPR-UHFFFAOYSA-N
XLogP4.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide?
The IUPAC name of 4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide (CID 22170303) is 4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide is COc1ccc2ncc(C(N)=O)c(Nc3ccc(Br)cc3C)c2c1.
What is the InChIKey of 4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide?
The InChIKey is YKHJNUCYELRSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-10-7-11(19)3-5-15(10)22-17-13-8-12(24-2)4-6-16(13)21-9-14(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide?
4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylanilino)-6-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 22170303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).