7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one

C23H26N4O2S — CID 66932881

IUPAC7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2sc(N3CCOCC3Cc3cccc4cccnc34)nc2C1
InChIInChI=1S/C23H26N4O2S/c1-23(2)12-18-20(21(28)25-14-23)30-22(26-18)27-9-10-29-13-17(27)11-16-6-3-5-15-7-4-8-24-19(15)16/h3-8,17H,9-14H2,1-2H3,(H,25,28)
InChIKeyDZBYYVYZMFDAED-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.45
Rot. Bonds3

About 7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one

7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one (PubChem CID 66932881) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
PubChem CID66932881
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2sc(N3CCOCC3Cc3cccc4cccnc34)nc2C1
InChIInChI=1S/C23H26N4O2S/c1-23(2)12-18-20(21(28)25-14-23)30-22(26-18)27-9-10-29-13-17(27)11-16-6-3-5-15-7-4-8-24-19(15)16/h3-8,17H,9-14H2,1-2H3,(H,25,28)
InChIKeyDZBYYVYZMFDAED-UHFFFAOYSA-N
XLogP3.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
The IUPAC name of 7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one (CID 66932881) is 7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
The canonical SMILES for 7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one is CC1(C)CNC(=O)c2sc(N3CCOCC3Cc3cccc4cccnc34)nc2C1.
What is the InChIKey of 7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
The InChIKey is DZBYYVYZMFDAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-23(2)12-18-20(21(28)25-14-23)30-22(26-18)27-9-10-29-13-17(27)11-16-6-3-5-15-7-4-8-24-19(15)16/h3-8,17H,9-14H2,1-2H3,(H,25,28).
What are the key properties of 7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one has a molecular weight of 422.55 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[3-(quinolin-8-ylmethyl)morpholin-4-yl]-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one is sourced from PubChem (CID 66932881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).