6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid

C18H15ClN2O2 — CID 3154407

IUPAC6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid
SMILESO=C(O)c1ccc(Cl)c2c1C1C=CCC1C(c1ccccn1)N2
InChIInChI=1S/C18H15ClN2O2/c19-13-8-7-12(18(22)23)15-10-4-3-5-11(10)16(21-17(13)15)14-6-1-2-9-20-14/h1-4,6-11,16,21H,5H2,(H,22,23)
InChIKeyUOOMRAKLNOZSDI-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.26
Rot. Bonds2

About 6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid

6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid (PubChem CID 3154407) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid
PubChem CID3154407
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid
SMILESO=C(O)c1ccc(Cl)c2c1C1C=CCC1C(c1ccccn1)N2
InChIInChI=1S/C18H15ClN2O2/c19-13-8-7-12(18(22)23)15-10-4-3-5-11(10)16(21-17(13)15)14-6-1-2-9-20-14/h1-4,6-11,16,21H,5H2,(H,22,23)
InChIKeyUOOMRAKLNOZSDI-UHFFFAOYSA-N
XLogP4.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid with MolForge

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Related Compounds

CID 25253151
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CID 6471733
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CID 25252993
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CID 283831
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CID 57399602
CID 57399602
CID 3162137
CID 3162137
CID 90060487
CID 90060487
CID 90060629
CID 90060629
CID 46891449
CID 46891449
CID 686011
CID 686011
CID 118449027
CID 118449027
CID 123496011
CID 123496011

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid?
The IUPAC name of 6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid (CID 3154407) is 6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid.
What is the SMILES notation for 6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid?
The canonical SMILES for 6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid is O=C(O)c1ccc(Cl)c2c1C1C=CCC1C(c1ccccn1)N2.
What is the InChIKey of 6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid?
The InChIKey is UOOMRAKLNOZSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-13-8-7-12(18(22)23)15-10-4-3-5-11(10)16(21-17(13)15)14-6-1-2-9-20-14/h1-4,6-11,16,21H,5H2,(H,22,23).
What are the key properties of 6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid?
6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid has a molecular weight of 326.78 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-pyridin-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid is sourced from PubChem (CID 3154407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).