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

C21H21N3O — CID 19895466

IUPAC9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCCN1Cc2nc3c(-c4ccc(C)cc4)cccc3c(N)c2C1=O
InChIInChI=1S/C21H21N3O/c1-3-11-24-12-17-18(21(24)25)19(22)16-6-4-5-15(20(16)23-17)14-9-7-13(2)8-10-14/h4-10H,3,11-12H2,1-2H3,(H2,22,23)
InChIKeyXHYDZDZLWRMPNC-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.16
Rot. Bonds3

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

9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 19895466) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID19895466
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCCN1Cc2nc3c(-c4ccc(C)cc4)cccc3c(N)c2C1=O
InChIInChI=1S/C21H21N3O/c1-3-11-24-12-17-18(21(24)25)19(22)16-6-4-5-15(20(16)23-17)14-9-7-13(2)8-10-14/h4-10H,3,11-12H2,1-2H3,(H2,22,23)
InChIKeyXHYDZDZLWRMPNC-UHFFFAOYSA-N
XLogP4.16
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 19895466) is 9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one is CCCN1Cc2nc3c(-c4ccc(C)cc4)cccc3c(N)c2C1=O.
What is the InChIKey of 9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is XHYDZDZLWRMPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-11-24-12-17-18(21(24)25)19(22)16-6-4-5-15(20(16)23-17)14-9-7-13(2)8-10-14/h4-10H,3,11-12H2,1-2H3,(H2,22,23).
What are the key properties of 9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 331.42 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(4-methylphenyl)-2-propyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 19895466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).