4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide

C22H22N4O5S — CID 55456627

IUPAC4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
SMILESCOc1cc2ncn(CCCC(=O)Nc3nc4c(OC)cccc4s3)c(=O)c2cc1OC
InChIInChI=1S/C22H22N4O5S/c1-29-15-6-4-7-18-20(15)25-22(32-18)24-19(27)8-5-9-26-12-23-14-11-17(31-3)16(30-2)10-13(14)21(26)28/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,24,25,27)
InChIKeyZNTRAKGKJGHMBY-UHFFFAOYSA-N
MW454.51 g/mol
LogP3.45
Rot. Bonds8

About 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide (PubChem CID 55456627) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
PubChem CID55456627
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
SMILESCOc1cc2ncn(CCCC(=O)Nc3nc4c(OC)cccc4s3)c(=O)c2cc1OC
InChIInChI=1S/C22H22N4O5S/c1-29-15-6-4-7-18-20(15)25-22(32-18)24-19(27)8-5-9-26-12-23-14-11-17(31-3)16(30-2)10-13(14)21(26)28/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,24,25,27)
InChIKeyZNTRAKGKJGHMBY-UHFFFAOYSA-N
XLogP3.45
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55456466
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1H-indazol-7-yl)butanamide
CID 55547797
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide
CID 55566505
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55455875
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770
N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55784153
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 17422636
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)butanamide
CID 46657700
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2-diphenylethyl)butanamide
CID 46461895
methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-4-fluorobenzoate
CID 46519363
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 55908483
4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19218843

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide (CID 55456627) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide is COc1cc2ncn(CCCC(=O)Nc3nc4c(OC)cccc4s3)c(=O)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is ZNTRAKGKJGHMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c1-29-15-6-4-7-18-20(15)25-22(32-18)24-19(27)8-5-9-26-12-23-14-11-17(31-3)16(30-2)10-13(14)21(26)28/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,24,25,27).
What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide?
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 454.51 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 55456627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).