1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione

C26H34N4O4 — CID 13387790

IUPAC1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
SMILESCOc1ccccc1N1CCN(CCn2c(=O)c3ccccc3n(CCCCCO)c2=O)CC1
InChIInChI=1S/C26H34N4O4/c1-34-24-12-6-5-11-23(24)28-17-14-27(15-18-28)16-19-30-25(32)21-9-3-4-10-22(21)29(26(30)33)13-7-2-8-20-31/h3-6,9-12,31H,2,7-8,13-20H2,1H3
InChIKeyZTUDBKOGHVEHPH-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.16
Rot. Bonds10

About 1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione

1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione (PubChem CID 13387790) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
PubChem CID13387790
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
SMILESCOc1ccccc1N1CCN(CCn2c(=O)c3ccccc3n(CCCCCO)c2=O)CC1
InChIInChI=1S/C26H34N4O4/c1-34-24-12-6-5-11-23(24)28-17-14-27(15-18-28)16-19-30-25(32)21-9-3-4-10-22(21)29(26(30)33)13-7-2-8-20-31/h3-6,9-12,31H,2,7-8,13-20H2,1H3
InChIKeyZTUDBKOGHVEHPH-UHFFFAOYSA-N
XLogP2.16
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 13387788
ethyl 6-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4-dioxoquinazolin-1-yl]hexanoate
CID 13387770
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1,3-benzoxazol-2-one
CID 118713683
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanone
CID 141242869
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CID 10714877
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one
CID 11761983
2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione
CID 110184124
1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione
CID 67596550
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione
CID 101108349
1-[9-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]prop-2-en-1-one
CID 90739785

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione?
The IUPAC name of 1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione (CID 13387790) is 1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione?
The canonical SMILES for 1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione is COc1ccccc1N1CCN(CCn2c(=O)c3ccccc3n(CCCCCO)c2=O)CC1.
What is the InChIKey of 1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione?
The InChIKey is ZTUDBKOGHVEHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-34-24-12-6-5-11-23(24)28-17-14-27(15-18-28)16-19-30-25(32)21-9-3-4-10-22(21)29(26(30)33)13-7-2-8-20-31/h3-6,9-12,31H,2,7-8,13-20H2,1H3.
What are the key properties of 1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione?
1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione has a molecular weight of 466.58 g/mol, XLogP of 2.16, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione is sourced from PubChem (CID 13387790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).