6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine

C23H21N3O2 — CID 3235481

IUPAC6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3ccccc3OC)cc12
InChIInChI=1S/C23H21N3O2/c1-27-21-9-5-3-7-17(21)14-24-23-19-13-16(11-12-20(19)25-15-26-23)18-8-4-6-10-22(18)28-2/h3-13,15H,14H2,1-2H3,(H,24,25,26)
InChIKeyBKHXRNGRGPVNKF-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.93
Rot. Bonds6

About 6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine

6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 3235481) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID3235481
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CNc1ncnc2ccc(-c3ccccc3OC)cc12
InChIInChI=1S/C23H21N3O2/c1-27-21-9-5-3-7-17(21)14-24-23-19-13-16(11-12-20(19)25-15-26-23)18-8-4-6-10-22(18)28-2/h3-13,15H,14H2,1-2H3,(H,24,25,26)
InChIKeyBKHXRNGRGPVNKF-UHFFFAOYSA-N
XLogP4.93
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (CID 3235481) is 6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is COc1ccccc1CNc1ncnc2ccc(-c3ccccc3OC)cc12.
What is the InChIKey of 6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is BKHXRNGRGPVNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-27-21-9-5-3-7-17(21)14-24-23-19-13-16(11-12-20(19)25-15-26-23)18-8-4-6-10-22(18)28-2/h3-13,15H,14H2,1-2H3,(H,24,25,26).
What are the key properties of 6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 371.44 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3235481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).