6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine

C21H25N3O6 — CID 18796640

IUPAC6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc(OC)c(CNc2ncnc3c(OC)c(OC)c(OC)cc23)c(OC)c1
InChIInChI=1S/C21H25N3O6/c1-25-12-7-15(26-2)14(16(8-12)27-3)10-22-21-13-9-17(28-4)19(29-5)20(30-6)18(13)23-11-24-21/h7-9,11H,10H2,1-6H3,(H,22,23,24)
InChIKeyZOUOIRBVHPINKE-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.29
Rot. Bonds9

About 6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine

6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 18796640) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is 6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
PubChem CID18796640
Molecular FormulaC21H25N3O6
Molecular Weight415.45 g/mol
Exact Mass415.17
IUPAC Name6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc(OC)c(CNc2ncnc3c(OC)c(OC)c(OC)cc23)c(OC)c1
InChIInChI=1S/C21H25N3O6/c1-25-12-7-15(26-2)14(16(8-12)27-3)10-22-21-13-9-17(28-4)19(29-5)20(30-6)18(13)23-11-24-21/h7-9,11H,10H2,1-6H3,(H,22,23,24)
InChIKeyZOUOIRBVHPINKE-UHFFFAOYSA-N
XLogP3.29
TPSA93.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine (CID 18796640) is 6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine is COc1cc(OC)c(CNc2ncnc3c(OC)c(OC)c(OC)cc23)c(OC)c1.
What is the InChIKey of 6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is ZOUOIRBVHPINKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6/c1-25-12-7-15(26-2)14(16(8-12)27-3)10-22-21-13-9-17(28-4)19(29-5)20(30-6)18(13)23-11-24-21/h7-9,11H,10H2,1-6H3,(H,22,23,24).
What are the key properties of 6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine?
6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 415.45 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 18796640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).