7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one

C26H23N3O3 — CID 169270016

IUPAC7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one
SMILESCc1cc(C(C)Nc2cccc3c2C(=O)NC3)c2oc(-c3cccnc3)c(C)c(=O)c2c1
InChIInChI=1S/C26H23N3O3/c1-14-10-19(16(3)29-21-8-4-6-17-13-28-26(31)22(17)21)25-20(11-14)23(30)15(2)24(32-25)18-7-5-9-27-12-18/h4-12,16,29H,13H2,1-3H3,(H,28,31)
InChIKeyCPKBXTPUAPVWFN-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.89
Rot. Bonds4

About 7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one

7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one (PubChem CID 169270016) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one
PubChem CID169270016
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one
SMILESCc1cc(C(C)Nc2cccc3c2C(=O)NC3)c2oc(-c3cccnc3)c(C)c(=O)c2c1
InChIInChI=1S/C26H23N3O3/c1-14-10-19(16(3)29-21-8-4-6-17-13-28-26(31)22(17)21)25-20(11-14)23(30)15(2)24(32-25)18-7-5-9-27-12-18/h4-12,16,29H,13H2,1-3H3,(H,28,31)
InChIKeyCPKBXTPUAPVWFN-UHFFFAOYSA-N
XLogP4.89
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one (CID 169270016) is 7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one is Cc1cc(C(C)Nc2cccc3c2C(=O)NC3)c2oc(-c3cccnc3)c(C)c(=O)c2c1.
What is the InChIKey of 7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one?
The InChIKey is CPKBXTPUAPVWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-14-10-19(16(3)29-21-8-4-6-17-13-28-26(31)22(17)21)25-20(11-14)23(30)15(2)24(32-25)18-7-5-9-27-12-18/h4-12,16,29H,13H2,1-3H3,(H,28,31).
What are the key properties of 7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one?
7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one has a molecular weight of 425.49 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethylamino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 169270016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).