9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol

C22H23N3O2 — CID 136660033

IUPAC9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
SMILESCCCn1cc2nc3c(-c4cc(C)ccc4OC)cccc3c(N)c2c1O
InChIInChI=1S/C22H23N3O2/c1-4-10-25-12-17-19(22(25)26)20(23)15-7-5-6-14(21(15)24-17)16-11-13(2)8-9-18(16)27-3/h5-9,11-12,26H,4,10,23H2,1-3H3
InChIKeyAJCSJGSOFCYAQG-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.87
Rot. Bonds4

About 9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol

9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136660033) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
PubChem CID136660033
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
SMILESCCCn1cc2nc3c(-c4cc(C)ccc4OC)cccc3c(N)c2c1O
InChIInChI=1S/C22H23N3O2/c1-4-10-25-12-17-19(22(25)26)20(23)15-7-5-6-14(21(15)24-17)16-11-13(2)8-9-18(16)27-3/h5-9,11-12,26H,4,10,23H2,1-3H3
InChIKeyAJCSJGSOFCYAQG-UHFFFAOYSA-N
XLogP4.87
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136625690
9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136630982
9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136655240
9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67487851
9-amino-2-cyclopentyl-5-(2,5-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136598335
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-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67487808
9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136612296
9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
CID 136612019

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol (CID 136660033) is 9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol is CCCn1cc2nc3c(-c4cc(C)ccc4OC)cccc3c(N)c2c1O.
What is the InChIKey of 9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is AJCSJGSOFCYAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-10-25-12-17-19(22(25)26)20(23)15-7-5-6-14(21(15)24-17)16-11-13(2)8-9-18(16)27-3/h5-9,11-12,26H,4,10,23H2,1-3H3.
What are the key properties of 9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 361.45 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136660033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).