2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride

C17H26Cl2N4O2 — CID 154924279

IUPAC2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)CC(O)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-21(10-15(22)12-6-8-18-9-7-12)11-16-19-14-5-3-2-4-13(14)17(23)20-16;;/h2-5,12,15,18,22H,6-11H2,1H3,(H,19,20,23);2*1H
InChIKeyCZCBONVAUGFTAI-UHFFFAOYSA-N
MW389.33 g/mol
LogP1.56
Rot. Bonds5

About 2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride

2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride (PubChem CID 154924279) has the molecular formula C17H26Cl2N4O2 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride.

Molecular Properties

Compound Name2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
PubChem CID154924279
Molecular FormulaC17H26Cl2N4O2
Molecular Weight389.33 g/mol
Exact Mass388.14
IUPAC Name2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)CC(O)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-21(10-15(22)12-6-8-18-9-7-12)11-16-19-14-5-3-2-4-13(14)17(23)20-16;;/h2-5,12,15,18,22H,6-11H2,1H3,(H,19,20,23);2*1H
InChIKeyCZCBONVAUGFTAI-UHFFFAOYSA-N
XLogP1.56
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135891186
3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172658989
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135952256
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
1-cyclopropyl-2-[methyl-[(2-methylquinolin-4-yl)methyl]amino]ethanol
CID 111858846
2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135914752
2-[[1-adamantylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135799564
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride?
The IUPAC name of 2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride (CID 154924279) is 2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride.
What is the SMILES notation for 2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride?
The canonical SMILES for 2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride is CN(Cc1nc2ccccc2c(=O)[nH]1)CC(O)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride?
The InChIKey is CZCBONVAUGFTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.2ClH/c1-21(10-15(22)12-6-8-18-9-7-12)11-16-19-14-5-3-2-4-13(14)17(23)20-16;;/h2-5,12,15,18,22H,6-11H2,1H3,(H,19,20,23);2*1H.
What are the key properties of 2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride?
2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride has a molecular weight of 389.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride is sourced from PubChem (CID 154924279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).