9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol

C21H18ClN3O2 — CID 136612019

IUPAC9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1cccc(Cl)c1-c1cccc2c(N)c3c(O)n(C4CC4)cc3nc12
InChIInChI=1S/C21H18ClN3O2/c1-27-16-7-3-6-14(22)17(16)12-4-2-5-13-19(23)18-15(24-20(12)13)10-25(21(18)26)11-8-9-11/h2-7,10-11,26H,8-9,23H2,1H3
InChIKeyLPXMRTUILYFOGR-UHFFFAOYSA-N
MW379.85 g/mol
LogP5.14
Rot. Bonds3

About 9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol

9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136612019) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
PubChem CID136612019
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1cccc(Cl)c1-c1cccc2c(N)c3c(O)n(C4CC4)cc3nc12
InChIInChI=1S/C21H18ClN3O2/c1-27-16-7-3-6-14(22)17(16)12-4-2-5-13-19(23)18-15(24-20(12)13)10-25(21(18)26)11-8-9-11/h2-7,10-11,26H,8-9,23H2,1H3
InChIKeyLPXMRTUILYFOGR-UHFFFAOYSA-N
XLogP5.14
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.85
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol 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

9-amino-2-cyclobutyl-5-(2,6-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136503764
9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136613315
9-amino-2-cyclopentyl-5-(2,5-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136598335
9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136613450
9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136649756
9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136638620
9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol
CID 136648025
4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile
CID 136650584
9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136649446
9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136625690
9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136660033
9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136647726

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol (CID 136612019) is 9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol is COc1cccc(Cl)c1-c1cccc2c(N)c3c(O)n(C4CC4)cc3nc12.
What is the InChIKey of 9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is LPXMRTUILYFOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-27-16-7-3-6-14(22)17(16)12-4-2-5-13-19(23)18-15(24-20(12)13)10-25(21(18)26)11-8-9-11/h2-7,10-11,26H,8-9,23H2,1H3.
What are the key properties of 9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 379.85 g/mol, XLogP of 5.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136612019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).