8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine

C20H19N7O2 — CID 155728177

IUPAC8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
SMILESCOc1ccc(-c2cc(OC)c3ncnc(NCc4ccc(C)nn4)c3c2)nn1
InChIInChI=1S/C20H19N7O2/c1-12-4-5-14(25-24-12)10-21-20-15-8-13(16-6-7-18(29-3)27-26-16)9-17(28-2)19(15)22-11-23-20/h4-9,11H,10H2,1-3H3,(H,21,22,23)
InChIKeySSHNNMNJIVAOPL-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.81
Rot. Bonds6

About 8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine

8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine (PubChem CID 155728177) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
PubChem CID155728177
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
SMILESCOc1ccc(-c2cc(OC)c3ncnc(NCc4ccc(C)nn4)c3c2)nn1
InChIInChI=1S/C20H19N7O2/c1-12-4-5-14(25-24-12)10-21-20-15-8-13(16-6-7-18(29-3)27-26-16)9-17(28-2)19(15)22-11-23-20/h4-9,11H,10H2,1-3H3,(H,21,22,23)
InChIKeySSHNNMNJIVAOPL-UHFFFAOYSA-N
XLogP2.81
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine (CID 155728177) is 8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine is COc1ccc(-c2cc(OC)c3ncnc(NCc4ccc(C)nn4)c3c2)nn1.
What is the InChIKey of 8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
The InChIKey is SSHNNMNJIVAOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-12-4-5-14(25-24-12)10-21-20-15-8-13(16-6-7-18(29-3)27-26-16)9-17(28-2)19(15)22-11-23-20/h4-9,11H,10H2,1-3H3,(H,21,22,23).
What are the key properties of 8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine?
8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine has a molecular weight of 389.42 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-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 155728177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).