1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one

C24H24N4O2 — CID 15284402

IUPAC1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one
SMILESO=C1N(N2CCOCC2)c2ccccc2C1(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C24H24N4O2/c29-23-24(17-19-7-3-5-11-25-19,18-20-8-4-6-12-26-20)21-9-1-2-10-22(21)28(23)27-13-15-30-16-14-27/h1-12H,13-18H2
InChIKeyXFANDCMEMHMYHX-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.79
Rot. Bonds5

About 1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one

1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one (PubChem CID 15284402) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one
PubChem CID15284402
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one
SMILESO=C1N(N2CCOCC2)c2ccccc2C1(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C24H24N4O2/c29-23-24(17-19-7-3-5-11-25-19,18-20-8-4-6-12-26-20)21-9-1-2-10-22(21)28(23)27-13-15-30-16-14-27/h1-12H,13-18H2
InChIKeyXFANDCMEMHMYHX-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one?
The IUPAC name of 1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one (CID 15284402) is 1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one.
What is the SMILES notation for 1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one?
The canonical SMILES for 1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one is O=C1N(N2CCOCC2)c2ccccc2C1(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one?
The InChIKey is XFANDCMEMHMYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-23-24(17-19-7-3-5-11-25-19,18-20-8-4-6-12-26-20)21-9-1-2-10-22(21)28(23)27-13-15-30-16-14-27/h1-12H,13-18H2.
What are the key properties of 1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one?
1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one has a molecular weight of 400.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3,3-bis(pyridin-2-ylmethyl)indol-2-one is sourced from PubChem (CID 15284402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).