3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone

C21H23NO — CID 46891249

IUPAC3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone
SMILESO=C(N1CCCc2ccccc21)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H23NO/c23-20(22-16-8-10-17-9-4-5-13-19(17)22)21(14-6-7-15-21)18-11-2-1-3-12-18/h1-5,9,11-13H,6-8,10,14-16H2
InChIKeyYUULPLMGGIDMQX-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.48
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone

3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone (PubChem CID 46891249) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone
PubChem CID46891249
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone
SMILESO=C(N1CCCc2ccccc21)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H23NO/c23-20(22-16-8-10-17-9-4-5-13-19(17)22)21(14-6-7-15-21)18-11-2-1-3-12-18/h1-5,9,11-13H,6-8,10,14-16H2
InChIKeyYUULPLMGGIDMQX-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone (CID 46891249) is 3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone is O=C(N1CCCc2ccccc21)C1(c2ccccc2)CCCC1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone?
The InChIKey is YUULPLMGGIDMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c23-20(22-16-8-10-17-9-4-5-13-19(17)22)21(14-6-7-15-21)18-11-2-1-3-12-18/h1-5,9,11-13H,6-8,10,14-16H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone has a molecular weight of 305.42 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(1-phenylcyclopentyl)methanone is sourced from PubChem (CID 46891249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).