9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one

C19H18N4O3 — CID 25130340

IUPAC9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(-c2cccc3c(N)c4c(nc23)CN(C)C4=O)c(OC)n1
InChIInChI=1S/C19H18N4O3/c1-23-9-13-15(19(23)24)16(20)12-6-4-5-10(17(12)21-13)11-7-8-14(25-2)22-18(11)26-3/h4-8H,9H2,1-3H3,(H2,20,21)
InChIKeyCBSUKEUMIGOTLT-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.48
Rot. Bonds3

About 9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one

9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 25130340) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID25130340
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(-c2cccc3c(N)c4c(nc23)CN(C)C4=O)c(OC)n1
InChIInChI=1S/C19H18N4O3/c1-23-9-13-15(19(23)24)16(20)12-6-4-5-10(17(12)21-13)11-7-8-14(25-2)22-18(11)26-3/h4-8H,9H2,1-3H3,(H2,20,21)
InChIKeyCBSUKEUMIGOTLT-UHFFFAOYSA-N
XLogP2.48
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 25130340) is 9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one is COc1ccc(-c2cccc3c(N)c4c(nc23)CN(C)C4=O)c(OC)n1.
What is the InChIKey of 9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is CBSUKEUMIGOTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-23-9-13-15(19(23)24)16(20)12-6-4-5-10(17(12)21-13)11-7-8-14(25-2)22-18(11)26-3/h4-8H,9H2,1-3H3,(H2,20,21).
What are the key properties of 9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 350.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 25130340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).