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

C24H24N4O — CID 10022914

IUPAC8-methoxy-4-N-methyl-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1cccc2c(N(C)c3ccccc3C)nc(Nc3ccccc3C)nc12
InChIInChI=1S/C24H24N4O/c1-16-10-5-7-13-19(16)25-24-26-22-18(12-9-15-21(22)29-4)23(27-24)28(3)20-14-8-6-11-17(20)2/h5-15H,1-4H3,(H,25,26,27)
InChIKeyGWUSQHHPAOUIOD-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.77
Rot. Bonds5

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

8-methoxy-4-N-methyl-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine (PubChem CID 10022914) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 8-methoxy-4-N-methyl-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name8-methoxy-4-N-methyl-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine
PubChem CID10022914
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name8-methoxy-4-N-methyl-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1cccc2c(N(C)c3ccccc3C)nc(Nc3ccccc3C)nc12
InChIInChI=1S/C24H24N4O/c1-16-10-5-7-13-19(16)25-24-26-22-18(12-9-15-21(22)29-4)23(27-24)28(3)20-14-8-6-11-17(20)2/h5-15H,1-4H3,(H,25,26,27)
InChIKeyGWUSQHHPAOUIOD-UHFFFAOYSA-N
XLogP5.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.77
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,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 8-methoxy-4-N-methyl-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine (CID 10022914) is 8-methoxy-4-N-methyl-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 8-methoxy-4-N-methyl-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 8-methoxy-4-N-methyl-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine is COc1cccc2c(N(C)c3ccccc3C)nc(Nc3ccccc3C)nc12.
What is the InChIKey of 8-methoxy-4-N-methyl-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is GWUSQHHPAOUIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-10-5-7-13-19(16)25-24-26-22-18(12-9-15-21(22)29-4)23(27-24)28(3)20-14-8-6-11-17(20)2/h5-15H,1-4H3,(H,25,26,27).
What are the key properties of 8-methoxy-4-N-methyl-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine?
8-methoxy-4-N-methyl-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 384.48 g/mol, XLogP of 5.77, 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,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 10022914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).