1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone

C20H18N2O — CID 720972

IUPAC1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2c3c(nc4ccccc24)CCC3)c1
InChIInChI=1S/C20H18N2O/c1-13(23)14-6-4-7-15(12-14)21-20-16-8-2-3-10-18(16)22-19-11-5-9-17(19)20/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,21,22)
InChIKeyCOFGHNNNKUCSMV-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.67
Rot. Bonds3

About 1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone

1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone (PubChem CID 720972) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone
PubChem CID720972
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2c3c(nc4ccccc24)CCC3)c1
InChIInChI=1S/C20H18N2O/c1-13(23)14-6-4-7-15(12-14)21-20-16-8-2-3-10-18(16)22-19-11-5-9-17(19)20/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,21,22)
InChIKeyCOFGHNNNKUCSMV-UHFFFAOYSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone?
The IUPAC name of 1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone (CID 720972) is 1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone is CC(=O)c1cccc(Nc2c3c(nc4ccccc24)CCC3)c1.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone?
The InChIKey is COFGHNNNKUCSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-13(23)14-6-4-7-15(12-14)21-20-16-8-2-3-10-18(16)22-19-11-5-9-17(19)20/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,21,22).
What are the key properties of 1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone?
1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone has a molecular weight of 302.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)phenyl]ethanone is sourced from PubChem (CID 720972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).