5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide

C17H19ClN2O — CID 2831770

IUPAC5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide
SMILESO=C(CCCCCl)Nc1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C17H19ClN2O/c18-11-4-3-10-16(21)20-17-12-6-1-2-8-14(12)19-15-9-5-7-13(15)17/h1-2,6,8H,3-5,7,9-11H2,(H,19,20,21)
InChIKeyTVCUCBKHXUGSRT-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.07
Rot. Bonds5

About 5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide

5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide (PubChem CID 2831770) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide
PubChem CID2831770
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide
SMILESO=C(CCCCCl)Nc1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C17H19ClN2O/c18-11-4-3-10-16(21)20-17-12-6-1-2-8-14(12)19-15-9-5-7-13(15)17/h1-2,6,8H,3-5,7,9-11H2,(H,19,20,21)
InChIKeyTVCUCBKHXUGSRT-UHFFFAOYSA-N
XLogP4.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide?
The IUPAC name of 5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide (CID 2831770) is 5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide is O=C(CCCCCl)Nc1c2c(nc3ccccc13)CCC2.
What is the InChIKey of 5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide?
The InChIKey is TVCUCBKHXUGSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-11-4-3-10-16(21)20-17-12-6-1-2-8-14(12)19-15-9-5-7-13(15)17/h1-2,6,8H,3-5,7,9-11H2,(H,19,20,21).
What are the key properties of 5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide?
5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide has a molecular weight of 302.81 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)pentanamide is sourced from PubChem (CID 2831770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).