8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one

C22H26N2O2 — CID 126587658

IUPAC8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2cc3c(c(CC4CCCC4)c2)NC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C22H26N2O2/c1-14-9-19(13-24(2)22(14)26)17-11-16-7-8-20(25)23-21(16)18(12-17)10-15-5-3-4-6-15/h9,11-13,15H,3-8,10H2,1-2H3,(H,23,25)
InChIKeyMDEWQYYXICCICT-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.98
Rot. Bonds3

About 8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one

8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126587658) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID126587658
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2cc3c(c(CC4CCCC4)c2)NC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C22H26N2O2/c1-14-9-19(13-24(2)22(14)26)17-11-16-7-8-20(25)23-21(16)18(12-17)10-15-5-3-4-6-15/h9,11-13,15H,3-8,10H2,1-2H3,(H,23,25)
InChIKeyMDEWQYYXICCICT-UHFFFAOYSA-N
XLogP3.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one (CID 126587658) is 8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one is Cc1cc(-c2cc3c(c(CC4CCCC4)c2)NC(=O)CC3)cn(C)c1=O.
What is the InChIKey of 8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MDEWQYYXICCICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14-9-19(13-24(2)22(14)26)17-11-16-7-8-20(25)23-21(16)18(12-17)10-15-5-3-4-6-15/h9,11-13,15H,3-8,10H2,1-2H3,(H,23,25).
What are the key properties of 8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?
8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126587658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).