7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one

C12H17N3O2 — CID 115323583

IUPAC7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCCCC1CNc2nc(OC)ccc2NC1=O
InChIInChI=1S/C12H17N3O2/c1-3-4-8-7-13-11-9(14-12(8)16)5-6-10(15-11)17-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyOMKMOPWIZQTAKC-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.87
Rot. Bonds3

About 7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one

7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (PubChem CID 115323583) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
PubChem CID115323583
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCCCC1CNc2nc(OC)ccc2NC1=O
InChIInChI=1S/C12H17N3O2/c1-3-4-8-7-13-11-9(14-12(8)16)5-6-10(15-11)17-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyOMKMOPWIZQTAKC-UHFFFAOYSA-N
XLogP1.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The IUPAC name of 7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (CID 115323583) is 7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.
What is the SMILES notation for 7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The canonical SMILES for 7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is CCCC1CNc2nc(OC)ccc2NC1=O.
What is the InChIKey of 7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The InChIKey is OMKMOPWIZQTAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-4-8-7-13-11-9(14-12(8)16)5-6-10(15-11)17-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one has a molecular weight of 235.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is sourced from PubChem (CID 115323583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).