2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline

C19H20N4O — CID 3234633

IUPAC2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline
SMILESCOc1cccc(-c2nc(N3CCNCC3)c3ccccc3n2)c1
InChIInChI=1S/C19H20N4O/c1-24-15-6-4-5-14(13-15)18-21-17-8-3-2-7-16(17)19(22-18)23-11-9-20-10-12-23/h2-8,13,20H,9-12H2,1H3
InChIKeyCKXCKYOFERQQHZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.71
Rot. Bonds3

About 2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline

2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline (PubChem CID 3234633) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline
PubChem CID3234633
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline
SMILESCOc1cccc(-c2nc(N3CCNCC3)c3ccccc3n2)c1
InChIInChI=1S/C19H20N4O/c1-24-15-6-4-5-14(13-15)18-21-17-8-3-2-7-16(17)19(22-18)23-11-9-20-10-12-23/h2-8,13,20H,9-12H2,1H3
InChIKeyCKXCKYOFERQQHZ-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 2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline?
The IUPAC name of 2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline (CID 3234633) is 2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline?
The canonical SMILES for 2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline is COc1cccc(-c2nc(N3CCNCC3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline?
The InChIKey is CKXCKYOFERQQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-24-15-6-4-5-14(13-15)18-21-17-8-3-2-7-16(17)19(22-18)23-11-9-20-10-12-23/h2-8,13,20H,9-12H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline?
2-(3-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 2-(3-methoxyphenyl)-4-piperazin-1-ylquinazoline is sourced from PubChem (CID 3234633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).