2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide

C25H25N5O2S — CID 55378087

IUPAC2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1nc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C25H25N5O2S/c1-29(16-23(31)26-19-6-8-20(9-7-19)30-11-13-32-14-12-30)25-21-4-2-3-5-22(21)27-24(28-25)18-10-15-33-17-18/h2-10,15,17H,11-14,16H2,1H3,(H,26,31)
InChIKeyVUHSGTATCQNBHF-UHFFFAOYSA-N
MW459.58 g/mol
LogP4.27
Rot. Bonds6

About 2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 55378087) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is 2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID55378087
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1nc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C25H25N5O2S/c1-29(16-23(31)26-19-6-8-20(9-7-19)30-11-13-32-14-12-30)25-21-4-2-3-5-22(21)27-24(28-25)18-10-15-33-17-18/h2-10,15,17H,11-14,16H2,1H3,(H,26,31)
InChIKeyVUHSGTATCQNBHF-UHFFFAOYSA-N
XLogP4.27
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26585016
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4806660
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 133447108
2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 71915179
N-[3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 55375880
2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 133407503
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-(2-phenylquinazolin-4-yl)amino]acetamide
CID 134032191
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592090
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55387278
2-[ethyl(naphthalen-1-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55356704
2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2534913

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 55378087) is 2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1nc(-c2ccsc2)nc2ccccc12.
What is the InChIKey of 2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is VUHSGTATCQNBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-29(16-23(31)26-19-6-8-20(9-7-19)30-11-13-32-14-12-30)25-21-4-2-3-5-22(21)27-24(28-25)18-10-15-33-17-18/h2-10,15,17H,11-14,16H2,1H3,(H,26,31).
What are the key properties of 2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 459.58 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55378087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).