1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone

C14H16N2O — CID 22462514

IUPAC1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)N=C(N)C1CCCC21
InChIInChI=1S/C14H16N2O/c1-8(17)9-5-6-11-10-3-2-4-12(10)14(15)16-13(11)7-9/h5-7,10,12H,2-4H2,1H3,(H2,15,16)
InChIKeyWWKZMYUUFIDEGT-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.78
Rot. Bonds1

About 1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone

1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone (PubChem CID 22462514) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone
PubChem CID22462514
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)N=C(N)C1CCCC21
InChIInChI=1S/C14H16N2O/c1-8(17)9-5-6-11-10-3-2-4-12(10)14(15)16-13(11)7-9/h5-7,10,12H,2-4H2,1H3,(H2,15,16)
InChIKeyWWKZMYUUFIDEGT-UHFFFAOYSA-N
XLogP2.78
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone?
The IUPAC name of 1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone (CID 22462514) is 1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone?
The canonical SMILES for 1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone is CC(=O)c1ccc2c(c1)N=C(N)C1CCCC21.
What is the InChIKey of 1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone?
The InChIKey is WWKZMYUUFIDEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-8(17)9-5-6-11-10-3-2-4-12(10)14(15)16-13(11)7-9/h5-7,10,12H,2-4H2,1H3,(H2,15,16).
What are the key properties of 1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone?
1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-7-yl)ethanone is sourced from PubChem (CID 22462514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).