4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline

C27H28N4O2 — CID 11123072

IUPAC4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline
SMILESCOc1ccccc1N1CCN(CCOc2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C27H28N4O2/c1-32-25-14-8-7-13-24(25)31-17-15-30(16-18-31)19-20-33-27-22-11-5-6-12-23(22)28-26(29-27)21-9-3-2-4-10-21/h2-14H,15-20H2,1H3
InChIKeyLPSPLULEODQTJD-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.51
Rot. Bonds7

About 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline (PubChem CID 11123072) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline
PubChem CID11123072
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline
SMILESCOc1ccccc1N1CCN(CCOc2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C27H28N4O2/c1-32-25-14-8-7-13-24(25)31-17-15-30(16-18-31)19-20-33-27-22-11-5-6-12-23(22)28-26(29-27)21-9-3-2-4-10-21/h2-14H,15-20H2,1H3
InChIKeyLPSPLULEODQTJD-UHFFFAOYSA-N
XLogP4.51
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one
CID 11761983
1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole
CID 139918381
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
CID 22330526
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2H-benzotriazole
CID 11233507
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 1318256
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80871304

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline (CID 11123072) is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline is COc1ccccc1N1CCN(CCOc2nc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline?
The InChIKey is LPSPLULEODQTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-32-25-14-8-7-13-24(25)31-17-15-30(16-18-31)19-20-33-27-22-11-5-6-12-23(22)28-26(29-27)21-9-3-2-4-10-21/h2-14H,15-20H2,1H3.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline?
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline has a molecular weight of 440.55 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-phenylquinazoline is sourced from PubChem (CID 11123072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).