2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

C19H14N4OS — CID 141492974

IUPAC2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=c1c2c([nH]c3ccccc13)C(c1cccs1)N(c1ncccn1)C2
InChIInChI=1S/C19H14N4OS/c24-18-12-5-1-2-6-14(12)22-16-13(18)11-23(19-20-8-4-9-21-19)17(16)15-7-3-10-25-15/h1-10,17H,11H2,(H,22,24)
InChIKeyLDDPHAYCJIKIIB-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.49
Rot. Bonds2

About 2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (PubChem CID 141492974) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
PubChem CID141492974
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=c1c2c([nH]c3ccccc13)C(c1cccs1)N(c1ncccn1)C2
InChIInChI=1S/C19H14N4OS/c24-18-12-5-1-2-6-14(12)22-16-13(18)11-23(19-20-8-4-9-21-19)17(16)15-7-3-10-25-15/h1-10,17H,11H2,(H,22,24)
InChIKeyLDDPHAYCJIKIIB-UHFFFAOYSA-N
XLogP3.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The IUPAC name of 2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (CID 141492974) is 2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.
What is the SMILES notation for 2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The canonical SMILES for 2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is O=c1c2c([nH]c3ccccc13)C(c1cccs1)N(c1ncccn1)C2.
What is the InChIKey of 2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The InChIKey is LDDPHAYCJIKIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-18-12-5-1-2-6-14(12)22-16-13(18)11-23(19-20-8-4-9-21-19)17(16)15-7-3-10-25-15/h1-10,17H,11H2,(H,22,24).
What are the key properties of 2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one has a molecular weight of 346.42 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-3-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 141492974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).