3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione

C20H21N3O3 — CID 42955495

IUPAC3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H21N3O3/c24-19-16-8-4-5-9-17(16)21-20(25)23(19)14-18(15-6-2-1-3-7-15)22-10-12-26-13-11-22/h1-9,18H,10-14H2,(H,21,25)
InChIKeyXEIKTLOVAPFGKV-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.76
Rot. Bonds4

About 3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione

3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione (PubChem CID 42955495) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione
PubChem CID42955495
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H21N3O3/c24-19-16-8-4-5-9-17(16)21-20(25)23(19)14-18(15-6-2-1-3-7-15)22-10-12-26-13-11-22/h1-9,18H,10-14H2,(H,21,25)
InChIKeyXEIKTLOVAPFGKV-UHFFFAOYSA-N
XLogP1.76
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1H-quinazoline-2,4-dione
CID 51076095
3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione
CID 4910902
3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione
CID 95276091
3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione
CID 167990896
3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
CID 94025623
(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
CID 7692705
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42886342
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 30549132
3-(2-phenylsulfanylethyl)-1H-quinazoline-2,4-dione
CID 678582
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-quinazoline-2,4-dione
CID 42956978
3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione
CID 42956974
4-(3-carbazol-9-yl-1-phenylbutyl)morpholine
CID 4602727

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione (CID 42955495) is 3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1CC(c1ccccc1)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione?
The InChIKey is XEIKTLOVAPFGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19-16-8-4-5-9-17(16)21-20(25)23(19)14-18(15-6-2-1-3-7-15)22-10-12-26-13-11-22/h1-9,18H,10-14H2,(H,21,25).
What are the key properties of 3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione?
3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione has a molecular weight of 351.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 42955495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).