1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one

C14H20N4O2 — CID 66557831

IUPAC1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one
SMILESCN1CCN(C)c2ccnc(N3CCOCC3)c2C1=O
InChIInChI=1S/C14H20N4O2/c1-16-5-6-17(2)14(19)12-11(16)3-4-15-13(12)18-7-9-20-10-8-18/h3-4H,5-10H2,1-2H3
InChIKeyBAIBCNQFWPFMRC-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.44
Rot. Bonds1

About 1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one

1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one (PubChem CID 66557831) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one.

Molecular Properties

Compound Name1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one
PubChem CID66557831
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one
SMILESCN1CCN(C)c2ccnc(N3CCOCC3)c2C1=O
InChIInChI=1S/C14H20N4O2/c1-16-5-6-17(2)14(19)12-11(16)3-4-15-13(12)18-7-9-20-10-8-18/h3-4H,5-10H2,1-2H3
InChIKeyBAIBCNQFWPFMRC-UHFFFAOYSA-N
XLogP0.44
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one?
The IUPAC name of 1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one (CID 66557831) is 1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one.
What is the SMILES notation for 1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one?
The canonical SMILES for 1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one is CN1CCN(C)c2ccnc(N3CCOCC3)c2C1=O.
What is the InChIKey of 1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one?
The InChIKey is BAIBCNQFWPFMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-16-5-6-17(2)14(19)12-11(16)3-4-15-13(12)18-7-9-20-10-8-18/h3-4H,5-10H2,1-2H3.
What are the key properties of 1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one?
1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one has a molecular weight of 276.34 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-morpholin-4-yl-2,3-dihydropyrido[4,3-e][1,4]diazepin-5-one is sourced from PubChem (CID 66557831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).