3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione

C19H22N2O2 — CID 20897586

IUPAC3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCC1(C)Cc2ccccc2-c2[nH]c(=O)n(C3CCCC3)c(=O)c21
InChIInChI=1S/C19H22N2O2/c1-19(2)11-12-7-3-6-10-14(12)16-15(19)17(22)21(18(23)20-16)13-8-4-5-9-13/h3,6-7,10,13H,4-5,8-9,11H2,1-2H3,(H,20,23)
InChIKeyQXLXCTKIOGLVGJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.15
Rot. Bonds1

About 3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione

3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione (PubChem CID 20897586) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
PubChem CID20897586
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCC1(C)Cc2ccccc2-c2[nH]c(=O)n(C3CCCC3)c(=O)c21
InChIInChI=1S/C19H22N2O2/c1-19(2)11-12-7-3-6-10-14(12)16-15(19)17(22)21(18(23)20-16)13-8-4-5-9-13/h3,6-7,10,13H,4-5,8-9,11H2,1-2H3,(H,20,23)
InChIKeyQXLXCTKIOGLVGJ-UHFFFAOYSA-N
XLogP3.15
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione with MolForge

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Related Compounds

(5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 26823715
3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897609
3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
CID 702333
5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 39841289
3-[2-(3-iodopropoxy)ethyl]-5,5-dimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
CID 134257148
(5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 26823784
5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897573
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
(5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 92500350
3-cyclohexyl-4-hydroxy-5-phenyl-1H-imidazol-2-one
CID 91286309
5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897631
3-(cyclopentylmethyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 1212774

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The IUPAC name of 3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione (CID 20897586) is 3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The canonical SMILES for 3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione is CC1(C)Cc2ccccc2-c2[nH]c(=O)n(C3CCCC3)c(=O)c21.
What is the InChIKey of 3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The InChIKey is QXLXCTKIOGLVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2)11-12-7-3-6-10-14(12)16-15(19)17(22)21(18(23)20-16)13-8-4-5-9-13/h3,6-7,10,13H,4-5,8-9,11H2,1-2H3,(H,20,23).
What are the key properties of 3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione has a molecular weight of 310.40 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione is sourced from PubChem (CID 20897586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).