4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide

C20H20N4O3 — CID 11164397

IUPAC4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(C(=O)N(C)C)cc23)c1
InChIInChI=1S/C20H20N4O3/c1-24(2)20(26)12-7-8-17-15(9-12)18(16(11-22-17)19(21)25)23-13-5-4-6-14(10-13)27-3/h4-11H,1-3H3,(H2,21,25)(H,22,23)
InChIKeyUPRSLNXZNSWEKF-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.79
Rot. Bonds5

About 4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide

4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide (PubChem CID 11164397) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide
PubChem CID11164397
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(C(=O)N(C)C)cc23)c1
InChIInChI=1S/C20H20N4O3/c1-24(2)20(26)12-7-8-17-15(9-12)18(16(11-22-17)19(21)25)23-13-5-4-6-14(10-13)27-3/h4-11H,1-3H3,(H2,21,25)(H,22,23)
InChIKeyUPRSLNXZNSWEKF-UHFFFAOYSA-N
XLogP2.79
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide?
The IUPAC name of 4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide (CID 11164397) is 4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide is COc1cccc(Nc2c(C(N)=O)cnc3ccc(C(=O)N(C)C)cc23)c1.
What is the InChIKey of 4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide?
The InChIKey is UPRSLNXZNSWEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-24(2)20(26)12-7-8-17-15(9-12)18(16(11-22-17)19(21)25)23-13-5-4-6-14(10-13)27-3/h4-11H,1-3H3,(H2,21,25)(H,22,23).
What are the key properties of 4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide?
4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-6-N,6-N-dimethylquinoline-3,6-dicarboxamide is sourced from PubChem (CID 11164397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).