3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione

C14H16N2O2 — CID 117261716

IUPAC3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C14H16N2O2/c1-9-6-7-11-12(8-9)15-14(18)16(13(11)17)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)
InChIKeyHLPJWQGPFQRTGQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.11
Rot. Bonds1

About 3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione

3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione (PubChem CID 117261716) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
PubChem CID117261716
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C14H16N2O2/c1-9-6-7-11-12(8-9)15-14(18)16(13(11)17)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)
InChIKeyHLPJWQGPFQRTGQ-UHFFFAOYSA-N
XLogP2.11
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261515
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione
CID 117262472
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
3-(1,1-dioxothian-4-yl)-7-fluoro-1H-quinazoline-2,4-dione
CID 117261520
7-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261525
7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117261529
3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one
CID 145484811
6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
CID 117261427
N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide
CID 155533320
7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione
CID 117262827

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione (CID 117261716) is 3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione is Cc1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione?
The InChIKey is HLPJWQGPFQRTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-6-7-11-12(8-9)15-14(18)16(13(11)17)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18).
What are the key properties of 3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione?
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione has a molecular weight of 244.29 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).