N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide

C17H22N2O — CID 16738663

IUPACN-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
SMILESCC(C)CNC(=O)C1Nc2ccccc2C2C=CCC12
InChIInChI=1S/C17H22N2O/c1-11(2)10-18-17(20)16-14-8-5-7-12(14)13-6-3-4-9-15(13)19-16/h3-7,9,11-12,14,16,19H,8,10H2,1-2H3,(H,18,20)
InChIKeyADXDMWLQQWGDOX-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.91
Rot. Bonds3

About N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide

N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide (PubChem CID 16738663) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
PubChem CID16738663
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
SMILESCC(C)CNC(=O)C1Nc2ccccc2C2C=CCC12
InChIInChI=1S/C17H22N2O/c1-11(2)10-18-17(20)16-14-8-5-7-12(14)13-6-3-4-9-15(13)19-16/h3-7,9,11-12,14,16,19H,8,10H2,1-2H3,(H,18,20)
InChIKeyADXDMWLQQWGDOX-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide (CID 16738663) is N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide is CC(C)CNC(=O)C1Nc2ccccc2C2C=CCC12.
What is the InChIKey of N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide?
The InChIKey is ADXDMWLQQWGDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(2)10-18-17(20)16-14-8-5-7-12(14)13-6-3-4-9-15(13)19-16/h3-7,9,11-12,14,16,19H,8,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide?
N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide is sourced from PubChem (CID 16738663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).