3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide

C20H16N2O2 — CID 3561774

IUPAC3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2cccc3c2ccc2cccn23)c1
InChIInChI=1S/C20H16N2O2/c1-24-16-7-2-5-14(13-16)20(23)21-18-8-3-9-19-17(18)11-10-15-6-4-12-22(15)19/h2-13H,1H3,(H,21,23)
InChIKeyMWUSGFOPNMJXFH-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.35
Rot. Bonds3

About 3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide

3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide (PubChem CID 3561774) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide
PubChem CID3561774
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2cccc3c2ccc2cccn23)c1
InChIInChI=1S/C20H16N2O2/c1-24-16-7-2-5-14(13-16)20(23)21-18-8-3-9-19-17(18)11-10-15-6-4-12-22(15)19/h2-13H,1H3,(H,21,23)
InChIKeyMWUSGFOPNMJXFH-UHFFFAOYSA-N
XLogP4.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide?
The IUPAC name of 3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide (CID 3561774) is 3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide.
What is the SMILES notation for 3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide?
The canonical SMILES for 3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide is COc1cccc(C(=O)Nc2cccc3c2ccc2cccn23)c1.
What is the InChIKey of 3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide?
The InChIKey is MWUSGFOPNMJXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-24-16-7-2-5-14(13-16)20(23)21-18-8-3-9-19-17(18)11-10-15-6-4-12-22(15)19/h2-13H,1H3,(H,21,23).
What are the key properties of 3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide?
3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide has a molecular weight of 316.36 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzamide is sourced from PubChem (CID 3561774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).