2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine

C23H22N4O — CID 10044675

IUPAC2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
SMILESCOc1ccc(Nc2nc(N(C)c3ccccc3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C23H22N4O/c1-16-15-18(28-3)13-14-20(16)24-23-25-21-12-8-7-11-19(21)22(26-23)27(2)17-9-5-4-6-10-17/h4-15H,1-3H3,(H,24,25,26)
InChIKeyVVJBSTDBCMDOHE-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.46
Rot. Bonds5

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

2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine (PubChem CID 10044675) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
PubChem CID10044675
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
SMILESCOc1ccc(Nc2nc(N(C)c3ccccc3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C23H22N4O/c1-16-15-18(28-3)13-14-20(16)24-23-25-21-12-8-7-11-19(21)22(26-23)27(2)17-9-5-4-6-10-17/h4-15H,1-3H3,(H,24,25,26)
InChIKeyVVJBSTDBCMDOHE-UHFFFAOYSA-N
XLogP5.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine (CID 10044675) is 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine is COc1ccc(Nc2nc(N(C)c3ccccc3)c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is VVJBSTDBCMDOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-15-18(28-3)13-14-20(16)24-23-25-21-12-8-7-11-19(21)22(26-23)27(2)17-9-5-4-6-10-17/h4-15H,1-3H3,(H,24,25,26).
What are the key properties of 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine has a molecular weight of 370.46 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 10044675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).