6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline

C19H20N4O — CID 3235443

IUPAC6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline
SMILESCOc1ccccc1-c1ccc2ncnc(N3CCNCC3)c2c1
InChIInChI=1S/C19H20N4O/c1-24-18-5-3-2-4-15(18)14-6-7-17-16(12-14)19(22-13-21-17)23-10-8-20-9-11-23/h2-7,12-13,20H,8-11H2,1H3
InChIKeyYHXQVQZAXCKFBX-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.71
Rot. Bonds3

About 6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline

6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline (PubChem CID 3235443) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline
PubChem CID3235443
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline
SMILESCOc1ccccc1-c1ccc2ncnc(N3CCNCC3)c2c1
InChIInChI=1S/C19H20N4O/c1-24-18-5-3-2-4-15(18)14-6-7-17-16(12-14)19(22-13-21-17)23-10-8-20-9-11-23/h2-7,12-13,20H,8-11H2,1H3
InChIKeyYHXQVQZAXCKFBX-UHFFFAOYSA-N
XLogP2.71
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline?
The IUPAC name of 6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline (CID 3235443) is 6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline.
What is the SMILES notation for 6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline?
The canonical SMILES for 6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline is COc1ccccc1-c1ccc2ncnc(N3CCNCC3)c2c1.
What is the InChIKey of 6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline?
The InChIKey is YHXQVQZAXCKFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-24-18-5-3-2-4-15(18)14-6-7-17-16(12-14)19(22-13-21-17)23-10-8-20-9-11-23/h2-7,12-13,20H,8-11H2,1H3.
What are the key properties of 6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline?
6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline has a molecular weight of 320.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-4-piperazin-1-ylquinazoline is sourced from PubChem (CID 3235443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).