ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate

C16H18N2O2 — CID 659379

IUPACethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate
SMILES[H]/N=c1\c2c(n(CC(=O)OCC)c3ccccc13)CCC2
InChIInChI=1S/C16H18N2O2/c1-2-20-15(19)10-18-13-8-4-3-6-11(13)16(17)12-7-5-9-14(12)18/h3-4,6,8,17H,2,5,7,9-10H2,1H3/b17-16-
InChIKeyRQFIOVVJDCQWCB-MSUUIHNZSA-N
MW270.33 g/mol
LogP2.17
Rot. Bonds3

About ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate

ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate (PubChem CID 659379) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate
PubChem CID659379
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate
SMILES[H]/N=c1\c2c(n(CC(=O)OCC)c3ccccc13)CCC2
InChIInChI=1S/C16H18N2O2/c1-2-20-15(19)10-18-13-8-4-3-6-11(13)16(17)12-7-5-9-14(12)18/h3-4,6,8,17H,2,5,7,9-10H2,1H3/b17-16-
InChIKeyRQFIOVVJDCQWCB-MSUUIHNZSA-N
XLogP2.17
TPSA55.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate?
The IUPAC name of ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate (CID 659379) is ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate?
The canonical SMILES for ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate is [H]/N=c1\c2c(n(CC(=O)OCC)c3ccccc13)CCC2.
What is the InChIKey of ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate?
The InChIKey is RQFIOVVJDCQWCB-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-15(19)10-18-13-8-4-3-6-11(13)16(17)12-7-5-9-14(12)18/h3-4,6,8,17H,2,5,7,9-10H2,1H3/b17-16-.
What are the key properties of ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate?
ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate has a molecular weight of 270.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(9-imino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-yl)acetate is sourced from PubChem (CID 659379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).