N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine

C26H25N5O4S — CID 58139984

IUPACN-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(OCCCS(C)(=O)=O)cc23)ccc1Oc1ccn2ccnc2c1
InChIInChI=1S/C26H25N5O4S/c1-18-14-19(4-7-24(18)35-21-8-10-31-11-9-27-25(31)16-21)30-26-22-15-20(5-6-23(22)28-17-29-26)34-12-3-13-36(2,32)33/h4-11,14-17H,3,12-13H2,1-2H3,(H,28,29,30)
InChIKeyWZHIVLRGJIJKOS-UHFFFAOYSA-N
MW503.58 g/mol
LogP4.94
Rot. Bonds9

About N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine

N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine (PubChem CID 58139984) has the molecular formula C26H25N5O4S and a molecular weight of 503.58 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine
PubChem CID58139984
Molecular FormulaC26H25N5O4S
Molecular Weight503.58 g/mol
Exact Mass503.16
IUPAC NameN-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(OCCCS(C)(=O)=O)cc23)ccc1Oc1ccn2ccnc2c1
InChIInChI=1S/C26H25N5O4S/c1-18-14-19(4-7-24(18)35-21-8-10-31-11-9-27-25(31)16-21)30-26-22-15-20(5-6-23(22)28-17-29-26)34-12-3-13-36(2,32)33/h4-11,14-17H,3,12-13H2,1-2H3,(H,28,29,30)
InChIKeyWZHIVLRGJIJKOS-UHFFFAOYSA-N
XLogP4.94
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine 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-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine
CID 58140046
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(1-methylpiperidin-4-yl)ethoxy]quinazolin-4-amine
CID 58139948
N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine
CID 58139975
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
CID 58139959
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-2-propylpentanamide
CID 71196517
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide
CID 88975129
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]but-2-ynamide
CID 162431474
1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one
CID 58140197
2-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxyethyl acetate
CID 16752578
3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol
CID 58140079
N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 58139957
6-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 130324323

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine?
The IUPAC name of N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine (CID 58139984) is N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine?
The canonical SMILES for N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(OCCCS(C)(=O)=O)cc23)ccc1Oc1ccn2ccnc2c1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine?
The InChIKey is WZHIVLRGJIJKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4S/c1-18-14-19(4-7-24(18)35-21-8-10-31-11-9-27-25(31)16-21)30-26-22-15-20(5-6-23(22)28-17-29-26)34-12-3-13-36(2,32)33/h4-11,14-17H,3,12-13H2,1-2H3,(H,28,29,30).
What are the key properties of N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine?
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine has a molecular weight of 503.58 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 58139984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).