N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

C18H23N3O3 — CID 6502162

IUPACN-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C18H23N3O3/c1-2-20-17(23)14-10-6-7-11-15(14)21(18(20)24)12-16(22)19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,22)
InChIKeyYHHYAHABLSKVHA-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.63
Rot. Bonds4

About N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 6502162) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID6502162
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C18H23N3O3/c1-2-20-17(23)14-10-6-7-11-15(14)21(18(20)24)12-16(22)19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,22)
InChIKeyYHHYAHABLSKVHA-UHFFFAOYSA-N
XLogP1.63
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 6502162) is N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O.
What is the InChIKey of N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is YHHYAHABLSKVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-20-17(23)14-10-6-7-11-15(14)21(18(20)24)12-16(22)19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 6502162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).