8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one

C19H16ClN3O3S — CID 164622799

IUPAC8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one
SMILESCOCn1cnc2c(-c3nc4c(Cl)cc(OC)cc4s3)cc(C)cc2c1=O
InChIInChI=1S/C19H16ClN3O3S/c1-10-4-12(16-13(5-10)19(24)23(8-21-16)9-25-2)18-22-17-14(20)6-11(26-3)7-15(17)27-18/h4-8H,9H2,1-3H3
InChIKeyQXJFKJUKGPGXEI-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.25
Rot. Bonds4

About 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one

8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one (PubChem CID 164622799) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one.

Molecular Properties

Compound Name8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one
PubChem CID164622799
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one
SMILESCOCn1cnc2c(-c3nc4c(Cl)cc(OC)cc4s3)cc(C)cc2c1=O
InChIInChI=1S/C19H16ClN3O3S/c1-10-4-12(16-13(5-10)19(24)23(8-21-16)9-25-2)18-22-17-14(20)6-11(26-3)7-15(17)27-18/h4-8H,9H2,1-3H3
InChIKeyQXJFKJUKGPGXEI-UHFFFAOYSA-N
XLogP4.25
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-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 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one?
The IUPAC name of 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one (CID 164622799) is 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one.
What is the SMILES notation for 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one?
The canonical SMILES for 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one is COCn1cnc2c(-c3nc4c(Cl)cc(OC)cc4s3)cc(C)cc2c1=O.
What is the InChIKey of 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one?
The InChIKey is QXJFKJUKGPGXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-10-4-12(16-13(5-10)19(24)23(8-21-16)9-25-2)18-22-17-14(20)6-11(26-3)7-15(17)27-18/h4-8H,9H2,1-3H3.
What are the key properties of 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one?
8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one has a molecular weight of 401.88 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)-6-methylquinazolin-4-one is sourced from PubChem (CID 164622799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).