7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide

C45H50N10O5 — CID 158667359

IUPAC7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide
SMILESCOCCNc1cc2ncc(C(N)=O)c(Nc3ccccc3C)c2cc1OC.COc1cc2c(Nc3ccccc3C)c(C(N)=O)cnc2cc1NCCCn1ccnc1
InChIInChI=1S/C24H26N6O2.C21H24N4O3/c1-16-6-3-4-7-19(16)29-23-17-12-22(32-2)21(13-20(17)28-14-18(23)24(25)31)27-8-5-10-30-11-9-26-15-30;1-13-6-4-5-7-16(13)25-20-14-10-19(28-3)18(23-8-9-27-2)11-17(14)24-12-15(20)21(22)26/h3-4,6-7,9,11-15,27H,5,8,10H2,1-2H3,(H2,25,31)(H,28,29);4-7,10-12,23H,8-9H2,1-3H3,(H2,22,26)(H,24,25)
InChIKeyIDNJRXSXWWGCCP-UHFFFAOYSA-N
MW810.96 g/mol
LogP7.55
Rot. Bonds17

About 7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide

7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide (PubChem CID 158667359) has the molecular formula C45H50N10O5 and a molecular weight of 810.96 g/mol. Its IUPAC name is 7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide
PubChem CID158667359
Molecular FormulaC45H50N10O5
Molecular Weight810.96 g/mol
Exact Mass810.40
IUPAC Name7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide
SMILESCOCCNc1cc2ncc(C(N)=O)c(Nc3ccccc3C)c2cc1OC.COc1cc2c(Nc3ccccc3C)c(C(N)=O)cnc2cc1NCCCn1ccnc1
InChIInChI=1S/C24H26N6O2.C21H24N4O3/c1-16-6-3-4-7-19(16)29-23-17-12-22(32-2)21(13-20(17)28-14-18(23)24(25)31)27-8-5-10-30-11-9-26-15-30;1-13-6-4-5-7-16(13)25-20-14-10-19(28-3)18(23-8-9-27-2)11-17(14)24-12-15(20)21(22)26/h3-4,6-7,9,11-15,27H,5,8,10H2,1-2H3,(H2,25,31)(H,28,29);4-7,10-12,23H,8-9H2,1-3H3,(H2,22,26)(H,24,25)
InChIKeyIDNJRXSXWWGCCP-UHFFFAOYSA-N
XLogP7.55
TPSA205.59 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms60
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500810.96
LogP ≤ 57.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-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 7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide?
The IUPAC name of 7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide (CID 158667359) is 7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide.
What is the SMILES notation for 7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide?
The canonical SMILES for 7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide is COCCNc1cc2ncc(C(N)=O)c(Nc3ccccc3C)c2cc1OC.COc1cc2c(Nc3ccccc3C)c(C(N)=O)cnc2cc1NCCCn1ccnc1.
What is the InChIKey of 7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide?
The InChIKey is IDNJRXSXWWGCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.C21H24N4O3/c1-16-6-3-4-7-19(16)29-23-17-12-22(32-2)21(13-20(17)28-14-18(23)24(25)31)27-8-5-10-30-11-9-26-15-30;1-13-6-4-5-7-16(13)25-20-14-10-19(28-3)18(23-8-9-27-2)11-17(14)24-12-15(20)21(22)26/h3-4,6-7,9,11-15,27H,5,8,10H2,1-2H3,(H2,25,31)(H,28,29);4-7,10-12,23H,8-9H2,1-3H3,(H2,22,26)(H,24,25).
What are the key properties of 7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide?
7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide has a molecular weight of 810.96 g/mol, XLogP of 7.55, 17 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-imidazol-1-ylpropylamino)-6-methoxy-4-(2-methylanilino)quinoline-3-carboxamide;6-methoxy-7-(2-methoxyethylamino)-4-(2-methylanilino)quinoline-3-carboxamide is sourced from PubChem (CID 158667359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).