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

C23H22N4O — CID 10067754

IUPAC8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESCOc1cccc2c(N(C)c3ccccc3)nc(Nc3ccccc3C)nc12
InChIInChI=1S/C23H22N4O/c1-16-10-7-8-14-19(16)24-23-25-21-18(13-9-15-20(21)28-3)22(26-23)27(2)17-11-5-4-6-12-17/h4-15H,1-3H3,(H,24,25,26)
InChIKeyLPRAAPHEPRYBLH-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.46
Rot. Bonds5

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

8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine (PubChem CID 10067754) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
PubChem CID10067754
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESCOc1cccc2c(N(C)c3ccccc3)nc(Nc3ccccc3C)nc12
InChIInChI=1S/C23H22N4O/c1-16-10-7-8-14-19(16)24-23-25-21-18(13-9-15-20(21)28-3)22(26-23)27(2)17-11-5-4-6-12-17/h4-15H,1-3H3,(H,24,25,26)
InChIKeyLPRAAPHEPRYBLH-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 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine (CID 10067754) is 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine is COc1cccc2c(N(C)c3ccccc3)nc(Nc3ccccc3C)nc12.
What is the InChIKey of 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is LPRAAPHEPRYBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-10-7-8-14-19(16)24-23-25-21-18(13-9-15-20(21)28-3)22(26-23)27(2)17-11-5-4-6-12-17/h4-15H,1-3H3,(H,24,25,26).
What are the key properties of 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-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 8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 10067754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).