9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol

C27H25N3O4 — CID 136625690

IUPAC9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1ccc(Cn2cc3nc4c(-c5cc(OC)ccc5OC)cccc4c(N)c3c2O)cc1
InChIInChI=1S/C27H25N3O4/c1-32-17-9-7-16(8-10-17)14-30-15-22-24(27(30)31)25(28)20-6-4-5-19(26(20)29-22)21-13-18(33-2)11-12-23(21)34-3/h4-13,15,31H,14,28H2,1-3H3
InChIKeyWQEZJADIQGMUOI-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.22
Rot. Bonds6

About 9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol

9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136625690) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is 9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
PubChem CID136625690
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1ccc(Cn2cc3nc4c(-c5cc(OC)ccc5OC)cccc4c(N)c3c2O)cc1
InChIInChI=1S/C27H25N3O4/c1-32-17-9-7-16(8-10-17)14-30-15-22-24(27(30)31)25(28)20-6-4-5-19(26(20)29-22)21-13-18(33-2)11-12-23(21)34-3/h4-13,15,31H,14,28H2,1-3H3
InChIKeyWQEZJADIQGMUOI-UHFFFAOYSA-N
XLogP5.22
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136622323
9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136660033
9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136648303
9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136647548
9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136630982
9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 54581334
9-amino-2-cyclopentyl-5-(2,5-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136598335
9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
CID 136612019
9-amino-2-(1,3-benzodioxol-5-ylmethyl)-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67487280
9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136647726
9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136613315
9-amino-2-cyclobutyl-5-(2,6-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136503764

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol (CID 136625690) is 9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol is COc1ccc(Cn2cc3nc4c(-c5cc(OC)ccc5OC)cccc4c(N)c3c2O)cc1.
What is the InChIKey of 9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is WQEZJADIQGMUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-32-17-9-7-16(8-10-17)14-30-15-22-24(27(30)31)25(28)20-6-4-5-19(26(20)29-22)21-13-18(33-2)11-12-23(21)34-3/h4-13,15,31H,14,28H2,1-3H3.
What are the key properties of 9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 455.51 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136625690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).