(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone

C15H20N2O — CID 82707476

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
SMILESNc1cccc2c1CCCN2C(=O)C1CCCC1
InChIInChI=1S/C15H20N2O/c16-13-8-3-9-14-12(13)7-4-10-17(14)15(18)11-5-1-2-6-11/h3,8-9,11H,1-2,4-7,10,16H2
InChIKeyIMSYCHSPBHJTMI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.74
Rot. Bonds1

About (5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone (PubChem CID 82707476) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
PubChem CID82707476
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
SMILESNc1cccc2c1CCCN2C(=O)C1CCCC1
InChIInChI=1S/C15H20N2O/c16-13-8-3-9-14-12(13)7-4-10-17(14)15(18)11-5-1-2-6-11/h3,8-9,11H,1-2,4-7,10,16H2
InChIKeyIMSYCHSPBHJTMI-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone (CID 82707476) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone is Nc1cccc2c1CCCN2C(=O)C1CCCC1.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone?
The InChIKey is IMSYCHSPBHJTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-13-8-3-9-14-12(13)7-4-10-17(14)15(18)11-5-1-2-6-11/h3,8-9,11H,1-2,4-7,10,16H2.
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone has a molecular weight of 244.34 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone is sourced from PubChem (CID 82707476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).