6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine

C18H20N4O3 — CID 67606974

IUPAC6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1cc(-c2cc3nc(N)nc(N)c3cc2C)cc(OC)c1OC
InChIInChI=1S/C18H20N4O3/c1-9-5-12-13(21-18(20)22-17(12)19)8-11(9)10-6-14(23-2)16(25-4)15(7-10)24-3/h5-8H,1-4H3,(H4,19,20,21,22)
InChIKeyXNKZSTYYGUUJMG-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.80
Rot. Bonds4

About 6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine

6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine (PubChem CID 67606974) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
PubChem CID67606974
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1cc(-c2cc3nc(N)nc(N)c3cc2C)cc(OC)c1OC
InChIInChI=1S/C18H20N4O3/c1-9-5-12-13(21-18(20)22-17(12)19)8-11(9)10-6-14(23-2)16(25-4)15(7-10)24-3/h5-8H,1-4H3,(H4,19,20,21,22)
InChIKeyXNKZSTYYGUUJMG-UHFFFAOYSA-N
XLogP2.80
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine (CID 67606974) is 6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine is COc1cc(-c2cc3nc(N)nc(N)c3cc2C)cc(OC)c1OC.
What is the InChIKey of 6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is XNKZSTYYGUUJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-9-5-12-13(21-18(20)22-17(12)19)8-11(9)10-6-14(23-2)16(25-4)15(7-10)24-3/h5-8H,1-4H3,(H4,19,20,21,22).
What are the key properties of 6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine?
6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 340.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 67606974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).