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

C23H21N3O2 — CID 3234210

IUPAC6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCc4ccccc4OC)c3c2)c1
InChIInChI=1S/C23H21N3O2/c1-27-19-8-5-7-16(12-19)17-10-11-21-20(13-17)23(26-15-25-21)24-14-18-6-3-4-9-22(18)28-2/h3-13,15H,14H2,1-2H3,(H,24,25,26)
InChIKeyKQSBBOFNNSUBDG-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.93
Rot. Bonds6

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

6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 3234210) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID3234210
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCc4ccccc4OC)c3c2)c1
InChIInChI=1S/C23H21N3O2/c1-27-19-8-5-7-16(12-19)17-10-11-21-20(13-17)23(26-15-25-21)24-14-18-6-3-4-9-22(18)28-2/h3-13,15H,14H2,1-2H3,(H,24,25,26)
InChIKeyKQSBBOFNNSUBDG-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-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (CID 3234210) is 6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is COc1cccc(-c2ccc3ncnc(NCc4ccccc4OC)c3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is KQSBBOFNNSUBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-27-19-8-5-7-16(12-19)17-10-11-21-20(13-17)23(26-15-25-21)24-14-18-6-3-4-9-22(18)28-2/h3-13,15H,14H2,1-2H3,(H,24,25,26).
What are the key properties of 6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
6-(3-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-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3234210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).