7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine

C26H23N3O2 — CID 101247441

IUPAC7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine
SMILESCOc1cc2c(Nc3ccccc3)c(Nc3ccccc3)c3cccn3c2cc1OC
InChIInChI=1S/C26H23N3O2/c1-30-23-16-20-22(17-24(23)31-2)29-15-9-14-21(29)26(28-19-12-7-4-8-13-19)25(20)27-18-10-5-3-6-11-18/h3-17,27-28H,1-2H3
InChIKeyPBHWFDYWFWXXMC-UHFFFAOYSA-N
MW409.49 g/mol
LogP6.60
Rot. Bonds6

About 7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine

7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine (PubChem CID 101247441) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine.

Molecular Properties

Compound Name7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine
PubChem CID101247441
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine
SMILESCOc1cc2c(Nc3ccccc3)c(Nc3ccccc3)c3cccn3c2cc1OC
InChIInChI=1S/C26H23N3O2/c1-30-23-16-20-22(17-24(23)31-2)29-15-9-14-21(29)26(28-19-12-7-4-8-13-19)25(20)27-18-10-5-3-6-11-18/h3-17,27-28H,1-2H3
InChIKeyPBHWFDYWFWXXMC-UHFFFAOYSA-N
XLogP6.60
TPSA46.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

7-chloro-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine
CID 102512599
2,4,5-trimethoxy-N-phenylaniline
CID 151522704
8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine
CID 58168023
2-methoxy-N-phenylaniline
CID 10910514
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
4-methoxy-3-methyl-N-phenylaniline
CID 23635969
2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one
CID 110193650
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
1-acetyl-5,6-dimethoxy-N-phenylindazole-3-carboxamide
CID 157307504
4-anilino-3-bromo-1-ethyl-7-methoxyquinolin-2-one
CID 2786611

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine?
The IUPAC name of 7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine (CID 101247441) is 7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine.
What is the SMILES notation for 7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine?
The canonical SMILES for 7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine is COc1cc2c(Nc3ccccc3)c(Nc3ccccc3)c3cccn3c2cc1OC.
What is the InChIKey of 7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine?
The InChIKey is PBHWFDYWFWXXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-30-23-16-20-22(17-24(23)31-2)29-15-9-14-21(29)26(28-19-12-7-4-8-13-19)25(20)27-18-10-5-3-6-11-18/h3-17,27-28H,1-2H3.
What are the key properties of 7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine?
7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine has a molecular weight of 409.49 g/mol, XLogP of 6.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-4-N,5-N-diphenylpyrrolo[1,2-a]quinoline-4,5-diamine is sourced from PubChem (CID 101247441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).