2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide

C14H17ClN2O — CID 86809680

IUPAC2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
SMILESO=C(CCl)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C14H17ClN2O/c15-8-13(18)17-14-9-4-1-2-6-11(9)16-12-7-3-5-10(12)14/h1-8H2,(H,16,17,18)
InChIKeyPNNPOZIOJVSQJB-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.63
Rot. Bonds2

About 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide

2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide (PubChem CID 86809680) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
PubChem CID86809680
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
SMILESO=C(CCl)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C14H17ClN2O/c15-8-13(18)17-14-9-4-1-2-6-11(9)16-12-7-3-5-10(12)14/h1-8H2,(H,16,17,18)
InChIKeyPNNPOZIOJVSQJB-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide?
The IUPAC name of 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide (CID 86809680) is 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide is O=C(CCl)Nc1c2c(nc3c1CCC3)CCCC2.
What is the InChIKey of 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide?
The InChIKey is PNNPOZIOJVSQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-8-13(18)17-14-9-4-1-2-6-11(9)16-12-7-3-5-10(12)14/h1-8H2,(H,16,17,18).
What are the key properties of 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide?
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide has a molecular weight of 264.76 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide is sourced from PubChem (CID 86809680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).