6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

C21H18N4O — CID 3235086

IUPAC6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)c1
InChIInChI=1S/C21H18N4O/c1-26-18-6-2-5-16(10-18)17-7-8-20-19(11-17)21(25-14-24-20)23-13-15-4-3-9-22-12-15/h2-12,14H,13H2,1H3,(H,23,24,25)
InChIKeyLFOQBXJAFVJUTK-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.31
Rot. Bonds5

About 6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (PubChem CID 3235086) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
PubChem CID3235086
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)c1
InChIInChI=1S/C21H18N4O/c1-26-18-6-2-5-16(10-18)17-7-8-20-19(11-17)21(25-14-24-20)23-13-15-4-3-9-22-12-15/h2-12,14H,13H2,1H3,(H,23,24,25)
InChIKeyLFOQBXJAFVJUTK-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 6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (CID 3235086) is 6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is COc1cccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The InChIKey is LFOQBXJAFVJUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-26-18-6-2-5-16(10-18)17-7-8-20-19(11-17)21(25-14-24-20)23-13-15-4-3-9-22-12-15/h2-12,14H,13H2,1H3,(H,23,24,25).
What are the key properties of 6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
6-(3-methoxyphenyl)-N-(pyridin-3-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 6-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3235086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).