1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one

C25H21N4O+ — CID 123839800

IUPAC1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one
SMILESO=c1cc(-c2cc[n+]3c(c2)=NC=3c2ccnc3ccccc23)ccn1C1CCCC1
InChIInChI=1S/C25H21N4O/c30-24-16-18(10-13-28(24)19-5-1-2-6-19)17-11-14-29-23(15-17)27-25(29)21-9-12-26-22-8-4-3-7-20(21)22/h3-4,7-16,19H,1-2,5-6H2/q+1
InChIKeyLSTJGJVNNFEREO-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.49
Rot. Bonds3

About 1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one

1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one (PubChem CID 123839800) has the molecular formula C25H21N4O+ and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one
PubChem CID123839800
Molecular FormulaC25H21N4O+
Molecular Weight393.47 g/mol
Exact Mass393.17
IUPAC Name1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one
SMILESO=c1cc(-c2cc[n+]3c(c2)=NC=3c2ccnc3ccccc23)ccn1C1CCCC1
InChIInChI=1S/C25H21N4O/c30-24-16-18(10-13-28(24)19-5-1-2-6-19)17-11-14-29-23(15-17)27-25(29)21-9-12-26-22-8-4-3-7-20(21)22/h3-4,7-16,19H,1-2,5-6H2/q+1
InChIKeyLSTJGJVNNFEREO-UHFFFAOYSA-N
XLogP3.49
TPSA53.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one with MolForge

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Related Compounds

3-cyclobutylquinazolin-4-one
CID 171781936
1-cyclopropyl-4-(3-methylphenyl)pyridin-2-one
CID 141279720
3-cyclohexylquinazoline-4-thione
CID 102039202
cyclopenta[d][1]benzazepine
CID 90914140
2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine
CID 142306273
4-cyclopentylquinoline
CID 57273226
6-[4-(3-quinolin-5-ylimidazo[1,2-a]pyridin-7-yl)phenyl]piperidine-2,5-dione
CID 158751069
4-(3-fluorophenyl)quinoline
CID 141309372
(4R)-1-cyclohexyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95122395
3-quinolin-4-yl-9λ4-thiabicyclo[3.3.1]non-2-ene 9-oxide
CID 171974601
4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1H-pyridin-2-one
CID 53393054
7-quinolin-4-yl-1H-quinolin-2-one
CID 175792512

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one?
The IUPAC name of 1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one (CID 123839800) is 1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one is O=c1cc(-c2cc[n+]3c(c2)=NC=3c2ccnc3ccccc23)ccn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one?
The InChIKey is LSTJGJVNNFEREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N4O/c30-24-16-18(10-13-28(24)19-5-1-2-6-19)17-11-14-29-23(15-17)27-25(29)21-9-12-26-22-8-4-3-7-20(21)22/h3-4,7-16,19H,1-2,5-6H2/q+1.
What are the key properties of 1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one?
1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one has a molecular weight of 393.47 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(8-quinolin-4-yl-7-aza-1-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl)pyridin-2-one is sourced from PubChem (CID 123839800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).