3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione

C15H18N2O3 — CID 111466203

IUPAC3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CC1CCCC(O)C1
InChIInChI=1S/C15H18N2O3/c18-11-5-3-4-10(8-11)9-17-14(19)12-6-1-2-7-13(12)16-15(17)20/h1-2,6-7,10-11,18H,3-5,8-9H2,(H,16,20)
InChIKeySBABMHAJKYTYGM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.24
Rot. Bonds2

About 3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione

3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione (PubChem CID 111466203) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione
PubChem CID111466203
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CC1CCCC(O)C1
InChIInChI=1S/C15H18N2O3/c18-11-5-3-4-10(8-11)9-17-14(19)12-6-1-2-7-13(12)16-15(17)20/h1-2,6-7,10-11,18H,3-5,8-9H2,(H,16,20)
InChIKeySBABMHAJKYTYGM-UHFFFAOYSA-N
XLogP1.24
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
CID 94025623
N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide
CID 139011726
2-[(3-hydroxycyclohexyl)methyl]-1,2-benzothiazol-3-one
CID 114147581
tert-butyl 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 121374314
N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4907682
lithium;4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylic acid;methyl 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylate;hydroxide
CID 158566763
3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione
CID 39314217
methyl 3-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoate
CID 39354221
1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176148
3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione
CID 19001789
3-[(1-methylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 17171444
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 4911387

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione (CID 111466203) is 3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1CC1CCCC(O)C1.
What is the InChIKey of 3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione?
The InChIKey is SBABMHAJKYTYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-11-5-3-4-10(8-11)9-17-14(19)12-6-1-2-7-13(12)16-15(17)20/h1-2,6-7,10-11,18H,3-5,8-9H2,(H,16,20).
What are the key properties of 3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione?
3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 111466203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).