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

C23H21N3O2 — CID 3233294

IUPAC2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cccc(-c2nc(NCc3ccccc3OC)c3ccccc3n2)c1
InChIInChI=1S/C23H21N3O2/c1-27-18-10-7-9-16(14-18)22-25-20-12-5-4-11-19(20)23(26-22)24-15-17-8-3-6-13-21(17)28-2/h3-14H,15H2,1-2H3,(H,24,25,26)
InChIKeyOSGUEGDQTDXPKW-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.93
Rot. Bonds6

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

2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 3233294) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID3233294
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cccc(-c2nc(NCc3ccccc3OC)c3ccccc3n2)c1
InChIInChI=1S/C23H21N3O2/c1-27-18-10-7-9-16(14-18)22-25-20-12-5-4-11-19(20)23(26-22)24-15-17-8-3-6-13-21(17)28-2/h3-14H,15H2,1-2H3,(H,24,25,26)
InChIKeyOSGUEGDQTDXPKW-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 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (CID 3233294) is 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is COc1cccc(-c2nc(NCc3ccccc3OC)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is OSGUEGDQTDXPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-27-18-10-7-9-16(14-18)22-25-20-12-5-4-11-19(20)23(26-22)24-15-17-8-3-6-13-21(17)28-2/h3-14H,15H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
2-(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 2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3233294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).