1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one

C14H18N2O2 — CID 102735246

IUPAC1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one
SMILESCN1Cc2ccccc2N([C@H]2CCC[C@@H]2O)C1=O
InChIInChI=1S/C14H18N2O2/c1-15-9-10-5-2-3-6-11(10)16(14(15)18)12-7-4-8-13(12)17/h2-3,5-6,12-13,17H,4,7-9H2,1H3/t12-,13-/m0/s1
InChIKeyFYOTYTDCSJJZGM-STQMWFEESA-N
MW246.31 g/mol
LogP1.97
Rot. Bonds1

About 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one

1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one (PubChem CID 102735246) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one
PubChem CID102735246
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one
SMILESCN1Cc2ccccc2N([C@H]2CCC[C@@H]2O)C1=O
InChIInChI=1S/C14H18N2O2/c1-15-9-10-5-2-3-6-11(10)16(14(15)18)12-7-4-8-13(12)17/h2-3,5-6,12-13,17H,4,7-9H2,1H3/t12-,13-/m0/s1
InChIKeyFYOTYTDCSJJZGM-STQMWFEESA-N
XLogP1.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione
CID 102735220
1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one
CID 82006279
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde
CID 82009959
3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one
CID 104751611
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide
CID 91759909
1-[2-(chloromethyl)prop-2-enyl]-3-methyl-4H-quinazolin-2-one
CID 103065853
1-(2-hydroxycycloheptyl)-3,4-dimethylpyrrole-2,5-dione
CID 113394967
(2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one
CID 58984785
1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one
CID 82006387
3-benzo[b][1]benzazepin-11-ylcyclohexane-1,2-diol
CID 123603368
5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
CID 56958885
2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane
CID 142177778

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one?
The IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one (CID 102735246) is 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one.
What is the SMILES notation for 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one?
The canonical SMILES for 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one is CN1Cc2ccccc2N([C@H]2CCC[C@@H]2O)C1=O.
What is the InChIKey of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one?
The InChIKey is FYOTYTDCSJJZGM-STQMWFEESA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-9-10-5-2-3-6-11(10)16(14(15)18)12-7-4-8-13(12)17/h2-3,5-6,12-13,17H,4,7-9H2,1H3/t12-,13-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one?
1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one is sourced from PubChem (CID 102735246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).