4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide

C20H22N4O3 — CID 22170298

IUPAC4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(N(C)C)cc3)c2cc1OC
InChIInChI=1S/C20H22N4O3/c1-24(2)13-7-5-12(6-8-13)23-19-14-9-17(26-3)18(27-4)10-16(14)22-11-15(19)20(21)25/h5-11H,1-4H3,(H2,21,25)(H,22,23)
InChIKeyYGLKAAKDFFGUNT-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.16
Rot. Bonds6

About 4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide

4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide (PubChem CID 22170298) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide
PubChem CID22170298
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccc(N(C)C)cc3)c2cc1OC
InChIInChI=1S/C20H22N4O3/c1-24(2)13-7-5-12(6-8-13)23-19-14-9-17(26-3)18(27-4)10-16(14)22-11-15(19)20(21)25/h5-11H,1-4H3,(H2,21,25)(H,22,23)
InChIKeyYGLKAAKDFFGUNT-UHFFFAOYSA-N
XLogP3.16
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide (CID 22170298) is 4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3ccc(N(C)C)cc3)c2cc1OC.
What is the InChIKey of 4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide?
The InChIKey is YGLKAAKDFFGUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-24(2)13-7-5-12(6-8-13)23-19-14-9-17(26-3)18(27-4)10-16(14)22-11-15(19)20(21)25/h5-11H,1-4H3,(H2,21,25)(H,22,23).
What are the key properties of 4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide?
4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carboxamide is sourced from PubChem (CID 22170298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).