2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one

C18H14N2O2 — CID 1490604

IUPAC2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(N2Cc3nc4ccccc4cc3C2=O)cc1
InChIInChI=1S/C18H14N2O2/c1-22-14-8-6-13(7-9-14)20-11-17-15(18(20)21)10-12-4-2-3-5-16(12)19-17/h2-10H,11H2,1H3
InChIKeyPZDKEKWEFXPHBF-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.40
Rot. Bonds2

About 2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one

2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 1490604) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID1490604
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(N2Cc3nc4ccccc4cc3C2=O)cc1
InChIInChI=1S/C18H14N2O2/c1-22-14-8-6-13(7-9-14)20-11-17-15(18(20)21)10-12-4-2-3-5-16(12)19-17/h2-10H,11H2,1H3
InChIKeyPZDKEKWEFXPHBF-UHFFFAOYSA-N
XLogP3.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one (CID 1490604) is 2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one is COc1ccc(N2Cc3nc4ccccc4cc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is PZDKEKWEFXPHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-14-8-6-13(7-9-14)20-11-17-15(18(20)21)10-12-4-2-3-5-16(12)19-17/h2-10H,11H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 290.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 1490604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).