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

C19H16ClN3O2S — CID 164614838

IUPAC8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one
SMILESCCn1cnc2c(-c3nc4c(Cl)cc(OC)cc4s3)cc(C)cc2c1=O
InChIInChI=1S/C19H16ClN3O2S/c1-4-23-9-21-16-12(5-10(2)6-13(16)19(23)24)18-22-17-14(20)7-11(25-3)8-15(17)26-18/h5-9H,4H2,1-3H3
InChIKeyDVRIHKIWISQYNM-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.66
Rot. Bonds3

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

8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one (PubChem CID 164614838) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one.

Molecular Properties

Compound Name8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one
PubChem CID164614838
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one
SMILESCCn1cnc2c(-c3nc4c(Cl)cc(OC)cc4s3)cc(C)cc2c1=O
InChIInChI=1S/C19H16ClN3O2S/c1-4-23-9-21-16-12(5-10(2)6-13(16)19(23)24)18-22-17-14(20)7-11(25-3)8-15(17)26-18/h5-9H,4H2,1-3H3
InChIKeyDVRIHKIWISQYNM-UHFFFAOYSA-N
XLogP4.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one?
The IUPAC name of 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one (CID 164614838) is 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one.
What is the SMILES notation for 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one?
The canonical SMILES for 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one is CCn1cnc2c(-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-ethyl-6-methylquinazolin-4-one?
The InChIKey is DVRIHKIWISQYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-4-23-9-21-16-12(5-10(2)6-13(16)19(23)24)18-22-17-14(20)7-11(25-3)8-15(17)26-18/h5-9H,4H2,1-3H3.
What are the key properties of 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one?
8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one has a molecular weight of 385.88 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-ethyl-6-methylquinazolin-4-one is sourced from PubChem (CID 164614838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).