9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one

C20H19N3O2 — CID 67487851

IUPAC9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(C)cc1-c1cccc2c(N)c3c(nc12)CN(C)C3=O
InChIInChI=1S/C20H19N3O2/c1-11-7-8-16(25-3)14(9-11)12-5-4-6-13-18(21)17-15(22-19(12)13)10-23(2)20(17)24/h4-9H,10H2,1-3H3,(H2,21,22)
InChIKeyYXNKORFLPYJGMM-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.39
Rot. Bonds2

About 9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one

9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 67487851) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID67487851
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(C)cc1-c1cccc2c(N)c3c(nc12)CN(C)C3=O
InChIInChI=1S/C20H19N3O2/c1-11-7-8-16(25-3)14(9-11)12-5-4-6-13-18(21)17-15(22-19(12)13)10-23(2)20(17)24/h4-9H,10H2,1-3H3,(H2,21,22)
InChIKeyYXNKORFLPYJGMM-UHFFFAOYSA-N
XLogP3.39
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 67487851) is 9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one is COc1ccc(C)cc1-c1cccc2c(N)c3c(nc12)CN(C)C3=O.
What is the InChIKey of 9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is YXNKORFLPYJGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-11-7-8-16(25-3)14(9-11)12-5-4-6-13-18(21)17-15(22-19(12)13)10-23(2)20(17)24/h4-9H,10H2,1-3H3,(H2,21,22).
What are the key properties of 9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 333.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 67487851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).