8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine

C27H28N4O2 — CID 122648764

IUPAC8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc2cccc(-c3ccccc3OC)c2n1
InChIInChI=1S/C27H28N4O2/c1-32-24-9-4-3-7-21(24)22-8-5-6-20-17-29-27(31-26(20)22)30-23-11-10-19(16-25(23)33-2)18-12-14-28-15-13-18/h3-11,16-18,28H,12-15H2,1-2H3,(H,29,30,31)
InChIKeyFIPFQXLNLTVXHJ-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.52
Rot. Bonds6

About 8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine

8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine (PubChem CID 122648764) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine
PubChem CID122648764
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc2cccc(-c3ccccc3OC)c2n1
InChIInChI=1S/C27H28N4O2/c1-32-24-9-4-3-7-21(24)22-8-5-6-20-17-29-27(31-26(20)22)30-23-11-10-19(16-25(23)33-2)18-12-14-28-15-13-18/h3-11,16-18,28H,12-15H2,1-2H3,(H,29,30,31)
InChIKeyFIPFQXLNLTVXHJ-UHFFFAOYSA-N
XLogP5.52
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine?
The IUPAC name of 8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine (CID 122648764) is 8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for 8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine?
The canonical SMILES for 8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine is COc1cc(C2CCNCC2)ccc1Nc1ncc2cccc(-c3ccccc3OC)c2n1.
What is the InChIKey of 8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine?
The InChIKey is FIPFQXLNLTVXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-32-24-9-4-3-7-21(24)22-8-5-6-20-17-29-27(31-26(20)22)30-23-11-10-19(16-25(23)33-2)18-12-14-28-15-13-18/h3-11,16-18,28H,12-15H2,1-2H3,(H,29,30,31).
What are the key properties of 8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine?
8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine has a molecular weight of 440.55 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 122648764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).