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

C20H21N3O3 — CID 22170285

IUPAC4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(C)c3C)c2cc1OC
InChIInChI=1S/C20H21N3O3/c1-11-6-5-7-15(12(11)2)23-19-13-8-17(25-3)18(26-4)9-16(13)22-10-14(19)20(21)24/h5-10H,1-4H3,(H2,21,24)(H,22,23)
InChIKeyLFBIFLNPDYOTGD-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.71
Rot. Bonds5

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

4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide (PubChem CID 22170285) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide
PubChem CID22170285
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(C)c3C)c2cc1OC
InChIInChI=1S/C20H21N3O3/c1-11-6-5-7-15(12(11)2)23-19-13-8-17(25-3)18(26-4)9-16(13)22-10-14(19)20(21)24/h5-10H,1-4H3,(H2,21,24)(H,22,23)
InChIKeyLFBIFLNPDYOTGD-UHFFFAOYSA-N
XLogP3.71
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The IUPAC name of 4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide (CID 22170285) is 4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3cccc(C)c3C)c2cc1OC.
What is the InChIKey of 4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The InChIKey is LFBIFLNPDYOTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-11-6-5-7-15(12(11)2)23-19-13-8-17(25-3)18(26-4)9-16(13)22-10-14(19)20(21)24/h5-10H,1-4H3,(H2,21,24)(H,22,23).
What are the key properties of 4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide?
4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylanilino)-6,7-dimethoxyquinoline-3-carboxamide is sourced from PubChem (CID 22170285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).