4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine

C22H20N4O — CID 1330474

IUPAC4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H20N4O/c1-27-18-13-11-17(12-14-18)24-22-25-20-10-6-5-9-19(20)21(26-22)23-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H2,23,24,25,26)
InChIKeyGFDLOQVUVBBATG-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.99
Rot. Bonds6

About 4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine

4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine (PubChem CID 1330474) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine
PubChem CID1330474
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H20N4O/c1-27-18-13-11-17(12-14-18)24-22-25-20-10-6-5-9-19(20)21(26-22)23-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H2,23,24,25,26)
InChIKeyGFDLOQVUVBBATG-UHFFFAOYSA-N
XLogP4.99
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine (CID 1330474) is 4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine is COc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is GFDLOQVUVBBATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-27-18-13-11-17(12-14-18)24-22-25-20-10-6-5-9-19(20)21(26-22)23-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine?
4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 356.43 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 1330474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).