2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine

C24H24N4O2 — CID 56668835

IUPAC2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H24N4O2/c1-29-19-11-7-17(8-12-19)15-25-23-21-5-3-4-6-22(21)27-24(28-23)26-16-18-9-13-20(30-2)14-10-18/h3-14H,15-16H2,1-2H3,(H2,25,26,27,28)
InChIKeyYSKFLXMLRUDKHB-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.87
Rot. Bonds8

About 2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine

2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine (PubChem CID 56668835) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
PubChem CID56668835
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H24N4O2/c1-29-19-11-7-17(8-12-19)15-25-23-21-5-3-4-6-22(21)27-24(28-23)26-16-18-9-13-20(30-2)14-10-18/h3-14H,15-16H2,1-2H3,(H2,25,26,27,28)
InChIKeyYSKFLXMLRUDKHB-UHFFFAOYSA-N
XLogP4.87
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine (CID 56668835) is 2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine is COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The InChIKey is YSKFLXMLRUDKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-29-19-11-7-17(8-12-19)15-25-23-21-5-3-4-6-22(21)27-24(28-23)26-16-18-9-13-20(30-2)14-10-18/h3-14H,15-16H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine?
2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine has a molecular weight of 400.48 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 56668835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).