2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one

C15H17N3O3 — CID 136911292

IUPAC2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one
SMILESCC1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1O
InChIInChI=1S/C15H17N3O3/c1-9-6-7-18(8-12(9)19)15(21)13-16-11-5-3-2-4-10(11)14(20)17-13/h2-5,9,12,19H,6-8H2,1H3,(H,16,17,20)
InChIKeyHYBHYWYSZYXHHM-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.77
Rot. Bonds1

About 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one

2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one (PubChem CID 136911292) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one
PubChem CID136911292
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one
SMILESCC1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1O
InChIInChI=1S/C15H17N3O3/c1-9-6-7-18(8-12(9)19)15(21)13-16-11-5-3-2-4-10(11)14(20)17-13/h2-5,9,12,19H,6-8H2,1H3,(H,16,17,20)
InChIKeyHYBHYWYSZYXHHM-UHFFFAOYSA-N
XLogP0.77
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one
CID 137248565
2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308
(9aS)-8-methyl-2-(4-oxo-3H-quinazoline-2-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 136697837
1-[(3R,4S)-4-hydroxy-1-(4-oxo-3H-quinazoline-2-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 137293752
(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957022
2-[(3S)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-quinazolin-4-one
CID 136743347
2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 167837886
2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 137200046
(1S,5R)-7-(4-oxo-3H-quinazoline-2-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155912818
2-[4-[(4-tert-butyltriazol-1-yl)methyl]piperidine-1-carbonyl]-3H-quinazolin-4-one
CID 135966433
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one (CID 136911292) is 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one is CC1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1O.
What is the InChIKey of 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one?
The InChIKey is HYBHYWYSZYXHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-6-7-18(8-12(9)19)15(21)13-16-11-5-3-2-4-10(11)14(20)17-13/h2-5,9,12,19H,6-8H2,1H3,(H,16,17,20).
What are the key properties of 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one?
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one has a molecular weight of 287.32 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136911292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).