N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide

C20H16Cl2N4O2S — CID 30238107

IUPACN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide
SMILESC[C@H](c1nc2ccccc2s1)N(C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C20H16Cl2N4O2S/c1-11(19-24-15-5-3-4-6-16(15)29-19)25(2)17(27)9-26-10-23-18-13(20(26)28)7-12(21)8-14(18)22/h3-8,10-11H,9H2,1-2H3/t11-/m1/s1
InChIKeyQUSGDVHNDMQMOR-LLVKDONJSA-N
MW447.35 g/mol
LogP4.53
Rot. Bonds4

About N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide

N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide (PubChem CID 30238107) has the molecular formula C20H16Cl2N4O2S and a molecular weight of 447.35 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide
PubChem CID30238107
Molecular FormulaC20H16Cl2N4O2S
Molecular Weight447.35 g/mol
Exact Mass446.04
IUPAC NameN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide
SMILESC[C@H](c1nc2ccccc2s1)N(C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C20H16Cl2N4O2S/c1-11(19-24-15-5-3-4-6-16(15)29-19)25(2)17(27)9-26-10-23-18-13(20(26)28)7-12(21)8-14(18)22/h3-8,10-11H,9H2,1-2H3/t11-/m1/s1
InChIKeyQUSGDVHNDMQMOR-LLVKDONJSA-N
XLogP4.53
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide 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

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 17487018
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 30135418
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 16560939
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 27912189
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-chloro-5-methylphenoxy)-N-methylacetamide
CID 9406553
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-chloro-5-methylphenoxy)-N-methylacetamide
CID 9406552
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809057
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 9262345
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626897
[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636536

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide?
The IUPAC name of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide (CID 30238107) is N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide?
The canonical SMILES for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide is C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide?
The InChIKey is QUSGDVHNDMQMOR-LLVKDONJSA-N. The full InChI is InChI=1S/C20H16Cl2N4O2S/c1-11(19-24-15-5-3-4-6-16(15)29-19)25(2)17(27)9-26-10-23-18-13(20(26)28)7-12(21)8-14(18)22/h3-8,10-11H,9H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide?
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide has a molecular weight of 447.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide is sourced from PubChem (CID 30238107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).