2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one

C16H21N3O2 — CID 136733737

IUPAC2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCN2CCC(CO)CC2)nc2ccccc12
InChIInChI=1S/C16H21N3O2/c20-11-12-5-8-19(9-6-12)10-7-15-17-14-4-2-1-3-13(14)16(21)18-15/h1-4,12,20H,5-11H2,(H,17,18,21)
InChIKeyPIAJQKRTYRKOAV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.17
Rot. Bonds4

About 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one

2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one (PubChem CID 136733737) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
PubChem CID136733737
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCN2CCC(CO)CC2)nc2ccccc12
InChIInChI=1S/C16H21N3O2/c20-11-12-5-8-19(9-6-12)10-7-15-17-14-4-2-1-3-13(14)16(21)18-15/h1-4,12,20H,5-11H2,(H,17,18,21)
InChIKeyPIAJQKRTYRKOAV-UHFFFAOYSA-N
XLogP1.17
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride
CID 137136922
2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136513777
2-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 136868764
2-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136895970
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 137078251
2-[4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-oxobutyl]-3H-quinazolin-4-one;hydrochloride
CID 137078552
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 22989602
2-[2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-quinazolin-4-one
CID 136577881
2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 137303622

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one (CID 136733737) is 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one is O=c1[nH]c(CCN2CCC(CO)CC2)nc2ccccc12.
What is the InChIKey of 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
The InChIKey is PIAJQKRTYRKOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-11-12-5-8-19(9-6-12)10-7-15-17-14-4-2-1-3-13(14)16(21)18-15/h1-4,12,20H,5-11H2,(H,17,18,21).
What are the key properties of 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one has a molecular weight of 287.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136733737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).