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

C23H28N4O4 — CID 13387788

IUPAC1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
SMILESCOc1ccccc1N1CCN(CCn2c(=O)c3ccccc3n(CCO)c2=O)CC1
InChIInChI=1S/C23H28N4O4/c1-31-21-9-5-4-8-20(21)25-13-10-24(11-14-25)12-15-27-22(29)18-6-2-3-7-19(18)26(16-17-28)23(27)30/h2-9,28H,10-17H2,1H3
InChIKeyIBQDVOTVSZJBBM-UHFFFAOYSA-N
MW424.50 g/mol
LogP0.99
Rot. Bonds7

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

1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione (PubChem CID 13387788) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
PubChem CID13387788
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
SMILESCOc1ccccc1N1CCN(CCn2c(=O)c3ccccc3n(CCO)c2=O)CC1
InChIInChI=1S/C23H28N4O4/c1-31-21-9-5-4-8-20(21)25-13-10-24(11-14-25)12-15-27-22(29)18-6-2-3-7-19(18)26(16-17-28)23(27)30/h2-9,28H,10-17H2,1H3
InChIKeyIBQDVOTVSZJBBM-UHFFFAOYSA-N
XLogP0.99
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 13387790
ethyl 6-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4-dioxoquinazolin-1-yl]hexanoate
CID 13387770
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one
CID 11761983
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-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione
CID 101108349
2-[3-(2-hydroxyethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53371249
2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione
CID 110184124
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
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10066711
2-benzyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 141242885

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione (CID 13387788) is 1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione is COc1ccccc1N1CCN(CCn2c(=O)c3ccccc3n(CCO)c2=O)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione?
The InChIKey is IBQDVOTVSZJBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-31-21-9-5-4-8-20(21)25-13-10-24(11-14-25)12-15-27-22(29)18-6-2-3-7-19(18)26(16-17-28)23(27)30/h2-9,28H,10-17H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione?
1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione has a molecular weight of 424.50 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione is sourced from PubChem (CID 13387788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).