N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide

C17H21N3O3 — CID 42810860

IUPACN-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide
SMILESCCC(C(=O)NC1CC1)n1c(=O)n(CC)c(=O)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-3-13(15(21)18-11-9-10-11)20-14-8-6-5-7-12(14)16(22)19(4-2)17(20)23/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyFASHYJBRPSZHLJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.41
Rot. Bonds5

About N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide

N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide (PubChem CID 42810860) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide
PubChem CID42810860
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide
SMILESCCC(C(=O)NC1CC1)n1c(=O)n(CC)c(=O)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-3-13(15(21)18-11-9-10-11)20-14-8-6-5-7-12(14)16(22)19(4-2)17(20)23/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyFASHYJBRPSZHLJ-UHFFFAOYSA-N
XLogP1.41
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopropyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 95059426
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)butanoic acid
CID 3014634
(2R)-N-cyclooctyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 95064515
(2R)-N-(4-methylcyclohexyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 92668803
(2S)-N-cyclopropyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876048
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
N-(4-methylcyclohexyl)-2-(3-oxo-1,2-benzothiazol-2-yl)butanamide
CID 22514992
2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide
CID 42811778
N-cyclopropyl-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2493452
N-cyclopentyl-2-(2-cyclopropylbenzimidazol-1-yl)butanamide
CID 53383203
(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide?
The IUPAC name of N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide (CID 42810860) is N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide.
What is the SMILES notation for N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide?
The canonical SMILES for N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide is CCC(C(=O)NC1CC1)n1c(=O)n(CC)c(=O)c2ccccc21.
What is the InChIKey of N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide?
The InChIKey is FASHYJBRPSZHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-13(15(21)18-11-9-10-11)20-14-8-6-5-7-12(14)16(22)19(4-2)17(20)23/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide?
N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide has a molecular weight of 315.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide is sourced from PubChem (CID 42810860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).