ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one

C15H23N3O2 — CID 145302295

IUPACethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
SMILESCC.O=C1Nc2ccccc2CN1C1CCN(O)CC1
InChIInChI=1S/C13H17N3O2.C2H6/c17-13-14-12-4-2-1-3-10(12)9-16(13)11-5-7-15(18)8-6-11;1-2/h1-4,11,18H,5-9H2,(H,14,17);1-2H3
InChIKeyBSFMZCNXQFDIEV-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.91
Rot. Bonds1

About ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one

ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 145302295) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Nameethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
PubChem CID145302295
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
SMILESCC.O=C1Nc2ccccc2CN1C1CCN(O)CC1
InChIInChI=1S/C13H17N3O2.C2H6/c17-13-14-12-4-2-1-3-10(12)9-16(13)11-5-7-15(18)8-6-11;1-2/h1-4,11,18H,5-9H2,(H,14,17);1-2H3
InChIKeyBSFMZCNXQFDIEV-UHFFFAOYSA-N
XLogP2.91
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 18321434
3-piperidin-1-ium-4-yl-1,4-dihydroquinazolin-2-one acetate
CID 67318866
4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanal
CID 87696645
3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one
CID 58964811
3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one
CID 58885036
3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 92968130
N-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 71055645
1-(2-methoxyphenyl)-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butane-1,4-dione
CID 21109796
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 155234182
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 71055661
(E)-1-naphthalen-1-yl-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]but-2-ene-1,4-dione
CID 21109880
ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 69189291

Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one (CID 145302295) is ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one is CC.O=C1Nc2ccccc2CN1C1CCN(O)CC1.
What is the InChIKey of ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is BSFMZCNXQFDIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.C2H6/c17-13-14-12-4-2-1-3-10(12)9-16(13)11-5-7-15(18)8-6-11;1-2/h1-4,11,18H,5-9H2,(H,14,17);1-2H3.
What are the key properties of ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one?
ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 277.37 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 145302295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).