3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione

C20H27N3O3 — CID 167881295

IUPAC3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione
SMILESC=CC(C)(C)CCCn1c(=O)[nH]c2ccc(N3CCOCC3)cc2c1=O
InChIInChI=1S/C20H27N3O3/c1-4-20(2,3)8-5-9-23-18(24)16-14-15(22-10-12-26-13-11-22)6-7-17(16)21-19(23)25/h4,6-7,14H,1,5,8-13H2,2-3H3,(H,21,25)
InChIKeyVKVBRWXFCDEGSP-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.52
Rot. Bonds6

About 3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione

3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione (PubChem CID 167881295) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione
PubChem CID167881295
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione
SMILESC=CC(C)(C)CCCn1c(=O)[nH]c2ccc(N3CCOCC3)cc2c1=O
InChIInChI=1S/C20H27N3O3/c1-4-20(2,3)8-5-9-23-18(24)16-14-15(22-10-12-26-13-11-22)6-7-17(16)21-19(23)25/h4,6-7,14H,1,5,8-13H2,2-3H3,(H,21,25)
InChIKeyVKVBRWXFCDEGSP-UHFFFAOYSA-N
XLogP2.52
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

3-butyl-6-morpholin-4-yl-1H-quinazoline-2,4-dione
CID 6426241
3-[2-(4-ethylpiperazin-1-yl)ethyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
CID 3690862
3-[(4-methylphenyl)methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
CID 4094660
N-[(3-methoxyphenyl)methyl]-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 12004463
N-[(3-chlorophenyl)methyl]-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 4099135
3-[3-(N-ethyl-3-methylanilino)propyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
CID 4099133
3-butyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 118886530
3-butyl-6-nitro-1H-quinazoline-2,4-dione
CID 101422507
3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261338
2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one
CID 140904912
3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one
CID 4091501
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 10674

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione (CID 167881295) is 3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione is C=CC(C)(C)CCCn1c(=O)[nH]c2ccc(N3CCOCC3)cc2c1=O.
What is the InChIKey of 3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione?
The InChIKey is VKVBRWXFCDEGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-20(2,3)8-5-9-23-18(24)16-14-15(22-10-12-26-13-11-22)6-7-17(16)21-19(23)25/h4,6-7,14H,1,5,8-13H2,2-3H3,(H,21,25).
What are the key properties of 3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione?
3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione has a molecular weight of 357.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylhex-5-enyl)-6-morpholin-4-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 167881295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).