1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline

C18H15N3 — CID 12908783

IUPAC1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline
SMILESCCn1c(-c2ccccc2)cc2nnc3ccccc3c21
InChIInChI=1S/C18H15N3/c1-2-21-17(13-8-4-3-5-9-13)12-16-18(21)14-10-6-7-11-15(14)19-20-16/h3-12H,2H2,1H3
InChIKeyDQIFWVDNLYELTB-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.27
Rot. Bonds2

About 1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline

1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline (PubChem CID 12908783) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline.

Molecular Properties

Compound Name1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline
PubChem CID12908783
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline
SMILESCCn1c(-c2ccccc2)cc2nnc3ccccc3c21
InChIInChI=1S/C18H15N3/c1-2-21-17(13-8-4-3-5-9-13)12-16-18(21)14-10-6-7-11-15(14)19-20-16/h3-12H,2H2,1H3
InChIKeyDQIFWVDNLYELTB-UHFFFAOYSA-N
XLogP4.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline?
The IUPAC name of 1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline (CID 12908783) is 1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline.
What is the SMILES notation for 1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline?
The canonical SMILES for 1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline is CCn1c(-c2ccccc2)cc2nnc3ccccc3c21.
What is the InChIKey of 1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline?
The InChIKey is DQIFWVDNLYELTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-2-21-17(13-8-4-3-5-9-13)12-16-18(21)14-10-6-7-11-15(14)19-20-16/h3-12H,2H2,1H3.
What are the key properties of 1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline?
1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline has a molecular weight of 273.34 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-phenylpyrrolo[3,2-c]cinnoline is sourced from PubChem (CID 12908783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).