3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one

C24H13NO5 — CID 10949283

IUPAC3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one
SMILESO=C(c1ccc(-c2cc3ccccc3oc2=O)nc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C24H13NO5/c26-22(18-12-15-6-2-4-8-21(15)30-24(18)28)16-9-10-19(25-13-16)17-11-14-5-1-3-7-20(14)29-23(17)27/h1-13H
InChIKeyAKPZMQMFHVQHQE-UHFFFAOYSA-N
MW395.37 g/mol
LogP4.19
Rot. Bonds3

About 3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one

3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one (PubChem CID 10949283) has the molecular formula C24H13NO5 and a molecular weight of 395.37 g/mol. Its IUPAC name is 3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one.

Molecular Properties

Compound Name3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one
PubChem CID10949283
Molecular FormulaC24H13NO5
Molecular Weight395.37 g/mol
Exact Mass395.08
IUPAC Name3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one
SMILESO=C(c1ccc(-c2cc3ccccc3oc2=O)nc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C24H13NO5/c26-22(18-12-15-6-2-4-8-21(15)30-24(18)28)16-9-10-19(25-13-16)17-11-14-5-1-3-7-20(14)29-23(17)27/h1-13H
InChIKeyAKPZMQMFHVQHQE-UHFFFAOYSA-N
XLogP4.19
TPSA90.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylbenzoyl)chromen-2-one
CID 132581750
4-(2-oxochromene-3-carbonyl)benzonitrile
CID 12777069
6-bromo-3-[5-(5-chloro-2-hydroxybenzoyl)-2-pyridinyl]chromen-2-one
CID 71816513
3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one
CID 23248661
2-oxochromene-3-carboxylic acid
CID 161011590
3-(1,2,5-oxadiazol-3-yl)chromen-2-one
CID 141396662
4-(2-oxochromen-3-yl)benzoate
CID 4249737
3-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carbonyl)chromen-2-one
CID 101161930
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate
CID 23248660
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
3-[(2S,3R)-3-phenyloxirane-2-carbonyl]chromen-2-one
CID 11231641

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one?
The IUPAC name of 3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one (CID 10949283) is 3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one.
What is the SMILES notation for 3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one?
The canonical SMILES for 3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one is O=C(c1ccc(-c2cc3ccccc3oc2=O)nc1)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one?
The InChIKey is AKPZMQMFHVQHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13NO5/c26-22(18-12-15-6-2-4-8-21(15)30-24(18)28)16-9-10-19(25-13-16)17-11-14-5-1-3-7-20(14)29-23(17)27/h1-13H.
What are the key properties of 3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one?
3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one has a molecular weight of 395.37 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-oxochromene-3-carbonyl)-2-pyridinyl]chromen-2-one is sourced from PubChem (CID 10949283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).