2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one

C16H22N2O2 — CID 45113433

IUPAC2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one
SMILESCC1(CC2(CO)CCCC2)NC(=O)c2ccccc2N1
InChIInChI=1S/C16H22N2O2/c1-15(10-16(11-19)8-4-5-9-16)17-13-7-3-2-6-12(13)14(20)18-15/h2-3,6-7,17,19H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyJGVOUDBNKLQMEZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.50
Rot. Bonds3

About 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one

2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one (PubChem CID 45113433) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one
PubChem CID45113433
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one
SMILESCC1(CC2(CO)CCCC2)NC(=O)c2ccccc2N1
InChIInChI=1S/C16H22N2O2/c1-15(10-16(11-19)8-4-5-9-16)17-13-7-3-2-6-12(13)14(20)18-15/h2-3,6-7,17,19H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyJGVOUDBNKLQMEZ-UHFFFAOYSA-N
XLogP2.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one (CID 45113433) is 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one is CC1(CC2(CO)CCCC2)NC(=O)c2ccccc2N1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one?
The InChIKey is JGVOUDBNKLQMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-15(10-16(11-19)8-4-5-9-16)17-13-7-3-2-6-12(13)14(20)18-15/h2-3,6-7,17,19H,4-5,8-11H2,1H3,(H,18,20).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one?
2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one has a molecular weight of 274.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 45113433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).