6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide

C19H19N3O4 — CID 22170203

IUPAC6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1ccc(Nc2c(C(N)=O)cnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C19H19N3O4/c1-24-12-6-4-11(5-7-12)22-18-13-8-16(25-2)17(26-3)9-15(13)21-10-14(18)19(20)23/h4-10H,1-3H3,(H2,20,23)(H,21,22)
InChIKeyZBTKGEFFOKQWGN-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.10
Rot. Bonds6

About 6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide

6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide (PubChem CID 22170203) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide
PubChem CID22170203
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1ccc(Nc2c(C(N)=O)cnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C19H19N3O4/c1-24-12-6-4-11(5-7-12)22-18-13-8-16(25-2)17(26-3)9-15(13)21-10-14(18)19(20)23/h4-10H,1-3H3,(H2,20,23)(H,21,22)
InChIKeyZBTKGEFFOKQWGN-UHFFFAOYSA-N
XLogP3.10
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide?
The IUPAC name of 6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide (CID 22170203) is 6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide?
The canonical SMILES for 6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide is COc1ccc(Nc2c(C(N)=O)cnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide?
The InChIKey is ZBTKGEFFOKQWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-12-6-4-11(5-7-12)22-18-13-8-16(25-2)17(26-3)9-15(13)21-10-14(18)19(20)23/h4-10H,1-3H3,(H2,20,23)(H,21,22).
What are the key properties of 6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide?
6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(4-methoxyanilino)quinoline-3-carboxamide is sourced from PubChem (CID 22170203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).