N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine

C21H18N4O — CID 3235152

IUPACN-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C21H18N4O/c1-26-20-7-3-2-5-17(20)13-23-21-18-11-15(16-6-4-10-22-12-16)8-9-19(18)24-14-25-21/h2-12,14H,13H2,1H3,(H,23,24,25)
InChIKeyPTKQNUYVCUSETH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.31
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine

N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine (PubChem CID 3235152) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine
PubChem CID3235152
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C21H18N4O/c1-26-20-7-3-2-5-17(20)13-23-21-18-11-15(16-6-4-10-22-12-16)8-9-19(18)24-14-25-21/h2-12,14H,13H2,1H3,(H,23,24,25)
InChIKeyPTKQNUYVCUSETH-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 N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine (CID 3235152) is N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine is COc1ccccc1CNc1ncnc2ccc(-c3cccnc3)cc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine?
The InChIKey is PTKQNUYVCUSETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-26-20-7-3-2-5-17(20)13-23-21-18-11-15(16-6-4-10-22-12-16)8-9-19(18)24-14-25-21/h2-12,14H,13H2,1H3,(H,23,24,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine?
N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-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 N-[(2-methoxyphenyl)methyl]-6-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 3235152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).