7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide

C13H11ClN2O2 — CID 71035373

IUPAC7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide
SMILESNC(=O)C1CCc2c1[nH]c1ccc(Cl)cc1c2=O
InChIInChI=1S/C13H11ClN2O2/c14-6-1-4-10-9(5-6)12(17)7-2-3-8(13(15)18)11(7)16-10/h1,4-5,8H,2-3H2,(H2,15,18)(H,16,17)
InChIKeyPYNXWGRIXIFWRJ-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.70
Rot. Bonds1

About 7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide

7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide (PubChem CID 71035373) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide
PubChem CID71035373
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide
SMILESNC(=O)C1CCc2c1[nH]c1ccc(Cl)cc1c2=O
InChIInChI=1S/C13H11ClN2O2/c14-6-1-4-10-9(5-6)12(17)7-2-3-8(13(15)18)11(7)16-10/h1,4-5,8H,2-3H2,(H2,15,18)(H,16,17)
InChIKeyPYNXWGRIXIFWRJ-UHFFFAOYSA-N
XLogP1.70
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide?
The IUPAC name of 7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide (CID 71035373) is 7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide?
The canonical SMILES for 7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide is NC(=O)C1CCc2c1[nH]c1ccc(Cl)cc1c2=O.
What is the InChIKey of 7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide?
The InChIKey is PYNXWGRIXIFWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-6-1-4-10-9(5-6)12(17)7-2-3-8(13(15)18)11(7)16-10/h1,4-5,8H,2-3H2,(H2,15,18)(H,16,17).
What are the key properties of 7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide?
7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide is sourced from PubChem (CID 71035373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).