3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one

C22H22N4O4 — CID 139233007

IUPAC3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(CCc2nc3ccccc3c(=O)n2CCO)n1CCO
InChIInChI=1S/C22H22N4O4/c27-13-11-25-19(23-17-7-3-1-5-15(17)21(25)29)9-10-20-24-18-8-4-2-6-16(18)22(30)26(20)12-14-28/h1-8,27-28H,9-14H2
InChIKeyGVIGPEZDOWZEDY-UHFFFAOYSA-N
MW406.44 g/mol
LogP0.88
Rot. Bonds7

About 3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one

3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one (PubChem CID 139233007) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
PubChem CID139233007
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(CCc2nc3ccccc3c(=O)n2CCO)n1CCO
InChIInChI=1S/C22H22N4O4/c27-13-11-25-19(23-17-7-3-1-5-15(17)21(25)29)9-10-20-24-18-8-4-2-6-16(18)22(30)26(20)12-14-28/h1-8,27-28H,9-14H2
InChIKeyGVIGPEZDOWZEDY-UHFFFAOYSA-N
XLogP0.88
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one with MolForge

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Related Compounds

3-(4-hydroxybutyl)-2-propylquinazolin-4-one
CID 59723833
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
CID 61394549
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-(4-chloroanilino)-3-(2-hydroxyethyl)quinazolin-4-one
CID 74766058
2-ethyl-3-pentylquinazolin-4-one
CID 529110
3-(3-chloropropyl)-2-ethylquinazolin-4-one
CID 59723865
2-benzyl-3-butylquinazolin-4-one
CID 12563436
methyl 3-[2-(chloromethyl)-4-oxoquinazolin-3-yl]propanoate
CID 61295376
2-(chloromethyl)-3-(4,4,4-trifluorobutyl)quinazolin-4-one
CID 115521867
3-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 3140396

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one (CID 139233007) is 3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one is O=c1c2ccccc2nc(CCc2nc3ccccc3c(=O)n2CCO)n1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one?
The InChIKey is GVIGPEZDOWZEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c27-13-11-25-19(23-17-7-3-1-5-15(17)21(25)29)9-10-20-24-18-8-4-2-6-16(18)22(30)26(20)12-14-28/h1-8,27-28H,9-14H2.
What are the key properties of 3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one?
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one has a molecular weight of 406.44 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 139233007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).