N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide

C20H20BrN3O4 — CID 24546255

IUPACN-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C20H20BrN3O4/c1-23(12-13-28-15-8-6-14(21)7-9-15)18(25)10-11-24-17-5-3-2-4-16(17)19(26)22-20(24)27/h2-9H,10-13H2,1H3,(H,22,26,27)
InChIKeyXGBGYWIPSUMXGG-UHFFFAOYSA-N
MW446.30 g/mol
LogP2.38
Rot. Bonds7

About N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide

N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide (PubChem CID 24546255) has the molecular formula C20H20BrN3O4 and a molecular weight of 446.30 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
PubChem CID24546255
Molecular FormulaC20H20BrN3O4
Molecular Weight446.30 g/mol
Exact Mass445.06
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C20H20BrN3O4/c1-23(12-13-28-15-8-6-14(21)7-9-15)18(25)10-11-24-17-5-3-2-4-16(17)19(26)22-20(24)27/h2-9H,10-13H2,1H3,(H,22,26,27)
InChIKeyXGBGYWIPSUMXGG-UHFFFAOYSA-N
XLogP2.38
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 24546994
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 17468906
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18136969
N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 27811332
3-(2,4-dioxoquinazolin-1-yl)-N-(4-phenoxybutyl)propanamide
CID 17414955
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 24551664
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552041
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 34441928
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 31549369
(4-iodophenyl) 3-(2,4-dioxoquinazolin-1-yl)propanoate
CID 47015427
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 41438789

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide (CID 24546255) is N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide is CN(CCOc1ccc(Br)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide?
The InChIKey is XGBGYWIPSUMXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O4/c1-23(12-13-28-15-8-6-14(21)7-9-15)18(25)10-11-24-17-5-3-2-4-16(17)19(26)22-20(24)27/h2-9H,10-13H2,1H3,(H,22,26,27).
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide?
N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide has a molecular weight of 446.30 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 24546255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).