N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide

C24H28N4O6 — CID 43045688

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)N2CCOCC2)cc1OC
InChIInChI=1S/C24H28N4O6/c1-32-20-8-7-16(13-21(20)33-2)19(27-9-11-34-12-10-27)14-25-22(29)15-28-18-6-4-3-5-17(18)23(30)26-24(28)31/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,25,29)(H,26,30,31)
InChIKeyHHEAKTDDBKUETD-UHFFFAOYSA-N
MW468.51 g/mol
LogP0.90
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 43045688) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID43045688
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)N2CCOCC2)cc1OC
InChIInChI=1S/C24H28N4O6/c1-32-20-8-7-16(13-21(20)33-2)19(27-9-11-34-12-10-27)14-25-22(29)15-28-18-6-4-3-5-17(18)23(30)26-24(28)31/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,25,29)(H,26,30,31)
InChIKeyHHEAKTDDBKUETD-UHFFFAOYSA-N
XLogP0.90
TPSA114.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 30549132
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 46517704
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55382953
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24646941
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46525247

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide (CID 43045688) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide is COc1ccc(C(CNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is HHEAKTDDBKUETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6/c1-32-20-8-7-16(13-21(20)33-2)19(27-9-11-34-12-10-27)14-25-22(29)15-28-18-6-4-3-5-17(18)23(30)26-24(28)31/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,25,29)(H,26,30,31).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 468.51 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 43045688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).