2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine

C21H18N4O — CID 166629556

IUPAC2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESCOc1cccc(-c2nc(NCc3ccccn3)c3ccccc3n2)c1
InChIInChI=1S/C21H18N4O/c1-26-17-9-6-7-15(13-17)20-24-19-11-3-2-10-18(19)21(25-20)23-14-16-8-4-5-12-22-16/h2-13H,14H2,1H3,(H,23,24,25)
InChIKeyXZBKRYFZISVPJT-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.31
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine

2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine (PubChem CID 166629556) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
PubChem CID166629556
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESCOc1cccc(-c2nc(NCc3ccccn3)c3ccccc3n2)c1
InChIInChI=1S/C21H18N4O/c1-26-17-9-6-7-15(13-17)20-24-19-11-3-2-10-18(19)21(25-20)23-14-16-8-4-5-12-22-16/h2-13H,14H2,1H3,(H,23,24,25)
InChIKeyXZBKRYFZISVPJT-UHFFFAOYSA-N
XLogP4.31
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine (CID 166629556) is 2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine is COc1cccc(-c2nc(NCc3ccccn3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The InChIKey is XZBKRYFZISVPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-26-17-9-6-7-15(13-17)20-24-19-11-3-2-10-18(19)21(25-20)23-14-16-8-4-5-12-22-16/h2-13H,14H2,1H3,(H,23,24,25).
What are the key properties of 2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine has a molecular weight of 342.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 166629556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).