5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one

C20H22N4O2 — CID 3087168

IUPAC5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one
SMILESO=C1CC(c2ccccc2)=Nc2cccnc2N1CCN1CCOCC1
InChIInChI=1S/C20H22N4O2/c25-19-15-18(16-5-2-1-3-6-16)22-17-7-4-8-21-20(17)24(19)10-9-23-11-13-26-14-12-23/h1-8H,9-15H2
InChIKeyQACPGDVVCLEKQH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.27
Rot. Bonds4

About 5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one

5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one (PubChem CID 3087168) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one
PubChem CID3087168
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one
SMILESO=C1CC(c2ccccc2)=Nc2cccnc2N1CCN1CCOCC1
InChIInChI=1S/C20H22N4O2/c25-19-15-18(16-5-2-1-3-6-16)22-17-7-4-8-21-20(17)24(19)10-9-23-11-13-26-14-12-23/h1-8H,9-15H2
InChIKeyQACPGDVVCLEKQH-UHFFFAOYSA-N
XLogP2.27
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one?
The IUPAC name of 5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one (CID 3087168) is 5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one.
What is the SMILES notation for 5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one?
The canonical SMILES for 5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one is O=C1CC(c2ccccc2)=Nc2cccnc2N1CCN1CCOCC1.
What is the InChIKey of 5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one?
The InChIKey is QACPGDVVCLEKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19-15-18(16-5-2-1-3-6-16)22-17-7-4-8-21-20(17)24(19)10-9-23-11-13-26-14-12-23/h1-8H,9-15H2.
What are the key properties of 5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one?
5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one is sourced from PubChem (CID 3087168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).