11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one

C23H32N4O — CID 3050556

IUPAC11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCCN(CC)CCCN1c2cc(C)c(C)cc2N(C)C(=O)c2ccc(C)nc21
InChIInChI=1S/C23H32N4O/c1-7-26(8-2)12-9-13-27-21-15-17(4)16(3)14-20(21)25(6)23(28)19-11-10-18(5)24-22(19)27/h10-11,14-15H,7-9,12-13H2,1-6H3
InChIKeyBSWOEKLZLBHENE-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.47
Rot. Bonds6

About 11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one

11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one (PubChem CID 3050556) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one
PubChem CID3050556
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCCN(CC)CCCN1c2cc(C)c(C)cc2N(C)C(=O)c2ccc(C)nc21
InChIInChI=1S/C23H32N4O/c1-7-26(8-2)12-9-13-27-21-15-17(4)16(3)14-20(21)25(6)23(28)19-11-10-18(5)24-22(19)27/h10-11,14-15H,7-9,12-13H2,1-6H3
InChIKeyBSWOEKLZLBHENE-UHFFFAOYSA-N
XLogP4.47
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one?
The IUPAC name of 11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one (CID 3050556) is 11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one.
What is the SMILES notation for 11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one?
The canonical SMILES for 11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one is CCN(CC)CCCN1c2cc(C)c(C)cc2N(C)C(=O)c2ccc(C)nc21.
What is the InChIKey of 11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one?
The InChIKey is BSWOEKLZLBHENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-7-26(8-2)12-9-13-27-21-15-17(4)16(3)14-20(21)25(6)23(28)19-11-10-18(5)24-22(19)27/h10-11,14-15H,7-9,12-13H2,1-6H3.
What are the key properties of 11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one?
11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one has a molecular weight of 380.54 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(diethylamino)propyl]-2,6,8,9-tetramethylpyrido[3,2-c][1,5]benzodiazepin-5-one is sourced from PubChem (CID 3050556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).