3-isoquinolin-3-yl-2-phenylchromen-4-one

C24H15NO2 — CID 175381344

IUPAC3-isoquinolin-3-yl-2-phenylchromen-4-one
SMILESO=c1c(-c2cc3ccccc3cn2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C24H15NO2/c26-23-19-12-6-7-13-21(19)27-24(16-8-2-1-3-9-16)22(23)20-14-17-10-4-5-11-18(17)15-25-20/h1-15H
InChIKeySYUFTOZUYWGYHY-UHFFFAOYSA-N
MW349.39 g/mol
LogP5.68
Rot. Bonds2

About 3-isoquinolin-3-yl-2-phenylchromen-4-one

3-isoquinolin-3-yl-2-phenylchromen-4-one (PubChem CID 175381344) has the molecular formula C24H15NO2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-isoquinolin-3-yl-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-isoquinolin-3-yl-2-phenylchromen-4-one
PubChem CID175381344
Molecular FormulaC24H15NO2
Molecular Weight349.39 g/mol
Exact Mass349.11
IUPAC Name3-isoquinolin-3-yl-2-phenylchromen-4-one
SMILESO=c1c(-c2cc3ccccc3cn2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C24H15NO2/c26-23-19-12-6-7-13-21(19)27-24(16-8-2-1-3-9-16)22(23)20-14-17-10-4-5-11-18(17)15-25-20/h1-15H
InChIKeySYUFTOZUYWGYHY-UHFFFAOYSA-N
XLogP5.68
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.39
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methylquinolin-2-yl)-2-phenylchromen-4-one
CID 164519667
3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one
CID 54184234
2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 735034
7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one
CID 164519672
2-(4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 735033
3-(2-benzofuran-1-yl)isoquinoline
CID 91281144
3-phenacyloxy-2-phenylchromen-4-one
CID 7730834
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3-azulen-2-ylisoquinoline
CID 139326489
3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline
CID 168815665
10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline
CID 59183169
2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
CID 140540725

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-3-yl-2-phenylchromen-4-one?
The IUPAC name of 3-isoquinolin-3-yl-2-phenylchromen-4-one (CID 175381344) is 3-isoquinolin-3-yl-2-phenylchromen-4-one.
What is the SMILES notation for 3-isoquinolin-3-yl-2-phenylchromen-4-one?
The canonical SMILES for 3-isoquinolin-3-yl-2-phenylchromen-4-one is O=c1c(-c2cc3ccccc3cn2)c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-isoquinolin-3-yl-2-phenylchromen-4-one?
The InChIKey is SYUFTOZUYWGYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO2/c26-23-19-12-6-7-13-21(19)27-24(16-8-2-1-3-9-16)22(23)20-14-17-10-4-5-11-18(17)15-25-20/h1-15H.
What are the key properties of 3-isoquinolin-3-yl-2-phenylchromen-4-one?
3-isoquinolin-3-yl-2-phenylchromen-4-one has a molecular weight of 349.39 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-3-yl-2-phenylchromen-4-one is sourced from PubChem (CID 175381344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).