[4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone

C18H18ClN5OS — CID 118755332

IUPAC[4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESNc1nc(CN2CCN(C(=O)c3cccs3)CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C18H18ClN5OS/c19-12-3-4-13-14(10-12)21-16(22-17(13)20)11-23-5-7-24(8-6-23)18(25)15-2-1-9-26-15/h1-4,9-10H,5-8,11H2,(H2,20,21,22)
InChIKeyUUSLHBAQSRTCAI-UHFFFAOYSA-N
MW387.90 g/mol
LogP2.88
Rot. Bonds3

About [4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 118755332) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is [4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID118755332
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC Name[4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESNc1nc(CN2CCN(C(=O)c3cccs3)CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C18H18ClN5OS/c19-12-3-4-13-14(10-12)21-16(22-17(13)20)11-23-5-7-24(8-6-23)18(25)15-2-1-9-26-15/h1-4,9-10H,5-8,11H2,(H2,20,21,22)
InChIKeyUUSLHBAQSRTCAI-UHFFFAOYSA-N
XLogP2.88
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 78898970
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 120750643
[4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 171385765
[4-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 126464600
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 37132593
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34953369
N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 17491103
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;oxalic acid
CID 2926890
[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47446108
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17414280

Frequently Asked Questions

What is the IUPAC name of [4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 118755332) is [4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone is Nc1nc(CN2CCN(C(=O)c3cccs3)CC2)nc2cc(Cl)ccc12.
What is the InChIKey of [4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is UUSLHBAQSRTCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS/c19-12-3-4-13-14(10-12)21-16(22-17(13)20)11-23-5-7-24(8-6-23)18(25)15-2-1-9-26-15/h1-4,9-10H,5-8,11H2,(H2,20,21,22).
What are the key properties of [4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 387.90 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 118755332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).