6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine

C20H22N4O — CID 3234134

IUPAC6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine
SMILESCOc1ccccc1-c1ccc2ncnc(NC3CCNCC3)c2c1
InChIInChI=1S/C20H22N4O/c1-25-19-5-3-2-4-16(19)14-6-7-18-17(12-14)20(23-13-22-18)24-15-8-10-21-11-9-15/h2-7,12-13,15,21H,8-11H2,1H3,(H,22,23,24)
InChIKeyXIOQKCGUHHJYFE-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.47
Rot. Bonds4

About 6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine

6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine (PubChem CID 3234134) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine
PubChem CID3234134
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine
SMILESCOc1ccccc1-c1ccc2ncnc(NC3CCNCC3)c2c1
InChIInChI=1S/C20H22N4O/c1-25-19-5-3-2-4-16(19)14-6-7-18-17(12-14)20(23-13-22-18)24-15-8-10-21-11-9-15/h2-7,12-13,15,21H,8-11H2,1H3,(H,22,23,24)
InChIKeyXIOQKCGUHHJYFE-UHFFFAOYSA-N
XLogP3.47
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine (CID 3234134) is 6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine is COc1ccccc1-c1ccc2ncnc(NC3CCNCC3)c2c1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine?
The InChIKey is XIOQKCGUHHJYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-19-5-3-2-4-16(19)14-6-7-18-17(12-14)20(23-13-22-18)24-15-8-10-21-11-9-15/h2-7,12-13,15,21H,8-11H2,1H3,(H,22,23,24).
What are the key properties of 6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine?
6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine has a molecular weight of 334.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine is sourced from PubChem (CID 3234134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).