8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine

C21H20N6O3S — CID 155340210

IUPAC8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc(S(C)(=O)=O)cn2)cc2c(NCc3ccc(C)nn3)ncnc12
InChIInChI=1S/C21H20N6O3S/c1-13-4-5-15(27-26-13)10-23-21-17-8-14(9-19(30-2)20(17)24-12-25-21)18-7-6-16(11-22-18)31(3,28)29/h4-9,11-12H,10H2,1-3H3,(H,23,24,25)
InChIKeyASKHAGHYALLCLB-UHFFFAOYSA-N
MW436.50 g/mol
LogP2.81
Rot. Bonds6

About 8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine

8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine (PubChem CID 155340210) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is 8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine
PubChem CID155340210
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC Name8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc(S(C)(=O)=O)cn2)cc2c(NCc3ccc(C)nn3)ncnc12
InChIInChI=1S/C21H20N6O3S/c1-13-4-5-15(27-26-13)10-23-21-17-8-14(9-19(30-2)20(17)24-12-25-21)18-7-6-16(11-22-18)31(3,28)29/h4-9,11-12H,10H2,1-3H3,(H,23,24,25)
InChIKeyASKHAGHYALLCLB-UHFFFAOYSA-N
XLogP2.81
TPSA119.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
CID 155728177
2-[4-[(6-methylpyridazin-3-yl)methylamino]-6-(5-methylpyrimidin-2-yl)quinazolin-8-yl]oxyacetic acid;dihydrochloride
CID 155728635
6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol
CID 155339950
6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
CID 155339893
[4-[[6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-yl]oxymethyl]piperidin-1-yl]-methoxymethanol
CID 167090414
N-[2-[(Z)-but-2-en-2-yl]oxyprop-2-enyl]-8-methoxy-6-(5-methyl-2-pyridinyl)quinazolin-4-amine;ethane
CID 155728729
3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737991
6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine
CID 155340253
N-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155364757
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine
CID 175571129
N-[(5-chloropyrimidin-2-yl)methyl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155728512

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine?
The IUPAC name of 8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine (CID 155340210) is 8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine?
The canonical SMILES for 8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine is COc1cc(-c2ccc(S(C)(=O)=O)cn2)cc2c(NCc3ccc(C)nn3)ncnc12.
What is the InChIKey of 8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine?
The InChIKey is ASKHAGHYALLCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-13-4-5-15(27-26-13)10-23-21-17-8-14(9-19(30-2)20(17)24-12-25-21)18-7-6-16(11-22-18)31(3,28)29/h4-9,11-12H,10H2,1-3H3,(H,23,24,25).
What are the key properties of 8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine?
8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine has a molecular weight of 436.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 155340210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).