6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine

C18H20N4O3 — CID 15990109

IUPAC6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1nc(N)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C18H20N4O3/c1-10-5-6-14(23-2)13(7-10)21-18-20-12-9-16(25-4)15(24-3)8-11(12)17(19)22-18/h5-9H,1-4H3,(H3,19,20,21,22)
InChIKeyHYONBFODMUSDNV-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.29
Rot. Bonds5

About 6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine

6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine (PubChem CID 15990109) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine
PubChem CID15990109
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1nc(N)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C18H20N4O3/c1-10-5-6-14(23-2)13(7-10)21-18-20-12-9-16(25-4)15(24-3)8-11(12)17(19)22-18/h5-9H,1-4H3,(H3,19,20,21,22)
InChIKeyHYONBFODMUSDNV-UHFFFAOYSA-N
XLogP3.29
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine (CID 15990109) is 6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine is COc1ccc(C)cc1Nc1nc(N)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of 6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is HYONBFODMUSDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10-5-6-14(23-2)13(7-10)21-18-20-12-9-16(25-4)15(24-3)8-11(12)17(19)22-18/h5-9H,1-4H3,(H3,19,20,21,22).
What are the key properties of 6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine?
6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 340.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 15990109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).