N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

C24H25N3O4 — CID 6622573

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1OC
InChIInChI=1S/C24H25N3O4/c1-26-19(14-17-22(26)16-7-5-6-8-18(16)27(2)24(17)29)23(28)25-12-11-15-9-10-20(30-3)21(13-15)31-4/h5-10,13-14H,11-12H2,1-4H3,(H,25,28)
InChIKeyZIRSWTGOJRXYJT-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.02
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 6622573) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID6622573
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1OC
InChIInChI=1S/C24H25N3O4/c1-26-19(14-17-22(26)16-7-5-6-8-18(16)27(2)24(17)29)23(28)25-12-11-15-9-10-20(30-3)21(13-15)31-4/h5-10,13-14H,11-12H2,1-4H3,(H,25,28)
InChIKeyZIRSWTGOJRXYJT-UHFFFAOYSA-N
XLogP3.02
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-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 N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 6622573) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is COc1ccc(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is ZIRSWTGOJRXYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-26-19(14-17-22(26)16-7-5-6-8-18(16)27(2)24(17)29)23(28)25-12-11-15-9-10-20(30-3)21(13-15)31-4/h5-10,13-14H,11-12H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).