11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

C18H20N4O2 — CID 14054136

IUPAC11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN(C)CCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21
InChIInChI=1S/C18H20N4O2/c1-21(2)12-6-10-16(23)22-15-9-4-3-7-13(15)18(24)20-14-8-5-11-19-17(14)22/h3-5,7-9,11H,6,10,12H2,1-2H3,(H,20,24)
InChIKeyXCWNFXFFNNQTST-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.65
Rot. Bonds4

About 11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (PubChem CID 14054136) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
PubChem CID14054136
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN(C)CCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21
InChIInChI=1S/C18H20N4O2/c1-21(2)12-6-10-16(23)22-15-9-4-3-7-13(15)18(24)20-14-8-5-11-19-17(14)22/h3-5,7-9,11H,6,10,12H2,1-2H3,(H,20,24)
InChIKeyXCWNFXFFNNQTST-UHFFFAOYSA-N
XLogP2.65
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The IUPAC name of 11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (CID 14054136) is 11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The canonical SMILES for 11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is CN(C)CCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21.
What is the InChIKey of 11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The InChIKey is XCWNFXFFNNQTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21(2)12-6-10-16(23)22-15-9-4-3-7-13(15)18(24)20-14-8-5-11-19-17(14)22/h3-5,7-9,11H,6,10,12H2,1-2H3,(H,20,24).
What are the key properties of 11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one has a molecular weight of 324.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(dimethylamino)butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 14054136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).