3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone

C19H14N2O2 — CID 53374339

IUPAC3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)c2cc3c(ccc4ccccc43)[nH]2)ccn1
InChIInChI=1S/C19H14N2O2/c1-23-18-10-13(8-9-20-18)19(22)17-11-15-14-5-3-2-4-12(14)6-7-16(15)21-17/h2-11,21H,1H3
InChIKeyVFPOUIGPDGDBTE-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.96
Rot. Bonds3

About 3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone

3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone (PubChem CID 53374339) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone
PubChem CID53374339
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)c2cc3c(ccc4ccccc43)[nH]2)ccn1
InChIInChI=1S/C19H14N2O2/c1-23-18-10-13(8-9-20-18)19(22)17-11-15-14-5-3-2-4-12(14)6-7-16(15)21-17/h2-11,21H,1H3
InChIKeyVFPOUIGPDGDBTE-UHFFFAOYSA-N
XLogP3.96
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone?
The IUPAC name of 3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone (CID 53374339) is 3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for 3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for 3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone is COc1cc(C(=O)c2cc3c(ccc4ccccc43)[nH]2)ccn1.
What is the InChIKey of 3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone?
The InChIKey is VFPOUIGPDGDBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-23-18-10-13(8-9-20-18)19(22)17-11-15-14-5-3-2-4-12(14)6-7-16(15)21-17/h2-11,21H,1H3.
What are the key properties of 3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone?
3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone has a molecular weight of 302.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzo[e]indol-2-yl-(2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 53374339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).