6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione

C16H17ClN2O3 — CID 24740974

IUPAC6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(COCC2CC=CCC2)c2ccc(Cl)cc12
InChIInChI=1S/C16H17ClN2O3/c17-12-6-7-14-13(8-12)15(20)18-16(21)19(14)10-22-9-11-4-2-1-3-5-11/h1-2,6-8,11H,3-5,9-10H2,(H,18,20,21)
InChIKeyVVOBIRYWBHSERK-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.67
Rot. Bonds4

About 6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione

6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione (PubChem CID 24740974) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione
PubChem CID24740974
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(COCC2CC=CCC2)c2ccc(Cl)cc12
InChIInChI=1S/C16H17ClN2O3/c17-12-6-7-14-13(8-12)15(20)18-16(21)19(14)10-22-9-11-4-2-1-3-5-11/h1-2,6-8,11H,3-5,9-10H2,(H,18,20,21)
InChIKeyVVOBIRYWBHSERK-UHFFFAOYSA-N
XLogP2.67
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione with MolForge

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Related Compounds

6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione
CID 123558614
6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione
CID 22347996
tris[[(2R,3S,4R,5R)-5-(6-chloro-2,4-dioxoquinazolin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] phosphate
CID 126564113
[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol
CID 106930114
6-chloro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione
CID 19087747
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine
CID 106930200
6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one
CID 21424819
6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117207372
5-chloro-1-ethyl-2H-indazol-3-one
CID 23063926
6-chloro-3-ethyl-1H-benzimidazol-2-one
CID 19437881
6-chloro-3-(thiolan-2-ylmethyl)-1H-benzimidazol-2-one
CID 117207296

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione?
The IUPAC name of 6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione (CID 24740974) is 6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione is O=c1[nH]c(=O)n(COCC2CC=CCC2)c2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione?
The InChIKey is VVOBIRYWBHSERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c17-12-6-7-14-13(8-12)15(20)18-16(21)19(14)10-22-9-11-4-2-1-3-5-11/h1-2,6-8,11H,3-5,9-10H2,(H,18,20,21).
What are the key properties of 6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione?
6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione has a molecular weight of 320.78 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione is sourced from PubChem (CID 24740974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).