8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine

C17H18N4O — CID 11779224

IUPAC8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCNc1nc(Nc2ccccc2C)c2cccc(OC)c2n1
InChIInChI=1S/C17H18N4O/c1-11-7-4-5-9-13(11)19-16-12-8-6-10-14(22-3)15(12)20-17(18-2)21-16/h4-10H,1-3H3,(H2,18,19,20,21)
InChIKeyXHXVPKWBVQEENB-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.73
Rot. Bonds4

About 8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine

8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine (PubChem CID 11779224) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine
PubChem CID11779224
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCNc1nc(Nc2ccccc2C)c2cccc(OC)c2n1
InChIInChI=1S/C17H18N4O/c1-11-7-4-5-9-13(11)19-16-12-8-6-10-14(22-3)15(12)20-17(18-2)21-16/h4-10H,1-3H3,(H2,18,19,20,21)
InChIKeyXHXVPKWBVQEENB-UHFFFAOYSA-N
XLogP3.73
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine (CID 11779224) is 8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine is CNc1nc(Nc2ccccc2C)c2cccc(OC)c2n1.
What is the InChIKey of 8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is XHXVPKWBVQEENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-7-4-5-9-13(11)19-16-12-8-6-10-14(22-3)15(12)20-17(18-2)21-16/h4-10H,1-3H3,(H2,18,19,20,21).
What are the key properties of 8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 294.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 11779224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).