1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one

C23H22ClN5OS2 — CID 69025687

IUPAC1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one
SMILESCc1cc(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)sc1-c1ccc(Cl)s1
InChIInChI=1S/C23H22ClN5OS2/c1-14-8-16(31-22(14)19-4-5-20(24)32-19)11-28-6-7-29(21(30)12-28)10-15-2-3-17-18(9-15)26-13-27-23(17)25/h2-5,8-9,13H,6-7,10-12H2,1H3,(H2,25,26,27)
InChIKeyWAYIRBUNUGCYLB-UHFFFAOYSA-N
MW484.05 g/mol
LogP4.81
Rot. Bonds5

About 1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one

1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one (PubChem CID 69025687) has the molecular formula C23H22ClN5OS2 and a molecular weight of 484.05 g/mol. Its IUPAC name is 1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one
PubChem CID69025687
Molecular FormulaC23H22ClN5OS2
Molecular Weight484.05 g/mol
Exact Mass483.10
IUPAC Name1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one
SMILESCc1cc(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)sc1-c1ccc(Cl)s1
InChIInChI=1S/C23H22ClN5OS2/c1-14-8-16(31-22(14)19-4-5-20(24)32-19)11-28-6-7-29(21(30)12-28)10-15-2-3-17-18(9-15)26-13-27-23(17)25/h2-5,8-9,13H,6-7,10-12H2,1H3,(H2,25,26,27)
InChIKeyWAYIRBUNUGCYLB-UHFFFAOYSA-N
XLogP4.81
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.05
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one 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

1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-piperazin-2-one
CID 44384198
4-(1-Benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 46846243
4-(4-Amino-quinazolin-7-ylmethyl)-1-(6-chloro-benzo[b]thiophene-2-sulfonyl)-piperazin-2-one
CID 44374066
1-{4-[2-(Thiophen-2-yl)quinazolin-4-yl]piperazin-1-yl}ethan-1-one
CID 2469159
1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-benzothiazol-2-ylmethyl)-piperazin-2-one
CID 44383764
(2S)-N-[4-(3-chloroanilino)quinazolin-6-yl]-1-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 72547360
1-[(4-Aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1,3-benzothiazol-2-yl)methyl]piperazin-2-one
CID 44383975
5-Chloro-N-[4-(pyrrolidin-1-YL)quinazolin-6-YL]thiophene-2-carboxamide
CID 53140561
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
CID 17426578
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
CID 17471073
2-[[2-chloro-3-(2-methyl-3-pyridinyl)-1-benzothiophen-5-yl]carbamoylamino]-N-[3-[methyl-[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino]propyl]acetamide
CID 137348361
4-{4-[3-(3-Thienyl)propanoyl]-1-piperazinyl}quinazoline
CID 70743753

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one?
The IUPAC name of 1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one (CID 69025687) is 1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one is Cc1cc(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)sc1-c1ccc(Cl)s1.
What is the InChIKey of 1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one?
The InChIKey is WAYIRBUNUGCYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5OS2/c1-14-8-16(31-22(14)19-4-5-20(24)32-19)11-28-6-7-29(21(30)12-28)10-15-2-3-17-18(9-15)26-13-27-23(17)25/h2-5,8-9,13H,6-7,10-12H2,1H3,(H2,25,26,27).
What are the key properties of 1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one?
1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one has a molecular weight of 484.05 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminoquinazolin-7-yl)methyl]-4-[[5-(5-chlorothiophen-2-yl)-4-methylthiophen-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 69025687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).