bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one)

C48H28N4O8 — CID 157442820

IUPACbis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one)
SMILESO=c1oc2ccccc2c2ncccc12.O=c1oc2ccccc2c2ncccc12.O=c1oc2cccnc2c2ccccc12.O=c1oc2cccnc2c2ccccc12
InChIInChI=1S/4C12H7NO2/c2*14-12-9-5-3-7-13-11(9)8-4-1-2-6-10(8)15-12;2*14-12-9-5-2-1-4-8(9)11-10(15-12)6-3-7-13-11/h4*1-7H
InChIKeyBRWGPSJQRWYRGH-UHFFFAOYSA-N
MW788.77 g/mol
LogP9.36
Rot. Bonds

About bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one)

bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one) (PubChem CID 157442820) has the molecular formula C48H28N4O8 and a molecular weight of 788.77 g/mol. Its IUPAC name is bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one).

Molecular Properties

Compound Namebis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one)
PubChem CID157442820
Molecular FormulaC48H28N4O8
Molecular Weight788.77 g/mol
Exact Mass788.19
IUPAC Namebis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one)
SMILESO=c1oc2ccccc2c2ncccc12.O=c1oc2ccccc2c2ncccc12.O=c1oc2cccnc2c2ccccc12.O=c1oc2cccnc2c2ccccc12
InChIInChI=1S/4C12H7NO2/c2*14-12-9-5-3-7-13-11(9)8-4-1-2-6-10(8)15-12;2*14-12-9-5-2-1-4-8(9)11-10(15-12)6-3-7-13-11/h4*1-7H
InChIKeyBRWGPSJQRWYRGH-UHFFFAOYSA-N
XLogP9.36
TPSA172.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500788.77
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-[6-(2-ethoxyphenyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate
CID 162644787
7-Phenylchromeno[4,3-b][1,5]naphthyridin-6-one
CID 155525005
Ethyl 8-methoxy-4-[5-(2-methoxyphenyl)-2-pyridinyl]quinoline-3-carboxylate
CID 162675680
6-Phenyl-4-pyridin-2-yl-9-oxa-5-azatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-one
CID 15472017
3-[2-[3-[5-Fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one
CID 164717201
9-Fluoro-3-[2-[3-[2-(9-fluoro-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]-5-[2-(6-phenyl-4-triphenylen-2-yl-3-pyridinyl)phenyl]phenyl]ethyl]chromeno[4,3-b]pyridin-5-one
CID 164717234
3-[2-[3-[5-Fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(9-methyl-5-oxochromeno[4,3-b]pyridin-3-yl)ethyl]phenyl]ethyl]-9-methylchromeno[4,3-b]pyridin-5-one
CID 164717237
5-[2-[3-[5-Fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(8-oxo-9-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-5-yl)ethyl]phenyl]ethyl]-9-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-8-one
CID 164717258
[6-(Trifluoromethyl)-3-pyridinyl] 4-butylbenzoate;[6-(trifluoromethyl)-3-pyridinyl] 4-ethylbenzoate;[6-(trifluoromethyl)-3-pyridinyl] 4-pentylbenzoate;[6-(trifluoromethyl)-3-pyridinyl] 4-propylbenzoate
CID 173372496
Dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine)
CID 139171175
Methyl 6-(2'-(5-acetoxypyridin-2-yl)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2-yl)nicotinate
CID 155908924
Chromeno[4,3-b][1,5]naphthyridin-6-one
CID 168266472

Frequently Asked Questions

What is the IUPAC name of bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one)?
The IUPAC name of bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one) (CID 157442820) is bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one).
What is the SMILES notation for bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one)?
The canonical SMILES for bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one) is O=c1oc2ccccc2c2ncccc12.O=c1oc2ccccc2c2ncccc12.O=c1oc2cccnc2c2ccccc12.O=c1oc2cccnc2c2ccccc12.
What is the InChIKey of bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one)?
The InChIKey is BRWGPSJQRWYRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H7NO2/c2*14-12-9-5-3-7-13-11(9)8-4-1-2-6-10(8)15-12;2*14-12-9-5-2-1-4-8(9)11-10(15-12)6-3-7-13-11/h4*1-7H.
What are the key properties of bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one)?
bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one) has a molecular weight of 788.77 g/mol, XLogP of 9.36, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one) is sourced from PubChem (CID 157442820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).