1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one

C14H14N2O — CID 45258358

IUPAC1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one
SMILESCCCN1C(=O)Cc2cc3ccccc3nc21
InChIInChI=1S/C14H14N2O/c1-2-7-16-13(17)9-11-8-10-5-3-4-6-12(10)15-14(11)16/h3-6,8H,2,7,9H2,1H3
InChIKeyVMWFIAKPCOMLON-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.53
Rot. Bonds2

About 1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one

1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one (PubChem CID 45258358) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one.

Molecular Properties

Compound Name1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one
PubChem CID45258358
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one
SMILESCCCN1C(=O)Cc2cc3ccccc3nc21
InChIInChI=1S/C14H14N2O/c1-2-7-16-13(17)9-11-8-10-5-3-4-6-12(10)15-14(11)16/h3-6,8H,2,7,9H2,1H3
InChIKeyVMWFIAKPCOMLON-UHFFFAOYSA-N
XLogP2.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one?
The IUPAC name of 1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one (CID 45258358) is 1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one.
What is the SMILES notation for 1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one?
The canonical SMILES for 1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one is CCCN1C(=O)Cc2cc3ccccc3nc21.
What is the InChIKey of 1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one?
The InChIKey is VMWFIAKPCOMLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-7-16-13(17)9-11-8-10-5-3-4-6-12(10)15-14(11)16/h3-6,8H,2,7,9H2,1H3.
What are the key properties of 1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one?
1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one has a molecular weight of 226.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one is sourced from PubChem (CID 45258358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).