N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide

C19H23N3O3 — CID 6502430

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O
InChIInChI=1S/C19H23N3O3/c1-21-18(24)15-9-5-6-10-16(15)22(19(21)25)13-17(23)20-12-11-14-7-3-2-4-8-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,20,23)
InChIKeyJGNYODQRSWJBFX-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.71
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 6502430) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID6502430
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O
InChIInChI=1S/C19H23N3O3/c1-21-18(24)15-9-5-6-10-16(15)22(19(21)25)13-17(23)20-12-11-14-7-3-2-4-8-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,20,23)
InChIKeyJGNYODQRSWJBFX-UHFFFAOYSA-N
XLogP1.71
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 6502430) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide is Cn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is JGNYODQRSWJBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-18(24)15-9-5-6-10-16(15)22(19(21)25)13-17(23)20-12-11-14-7-3-2-4-8-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,20,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 6502430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).