2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride

C17H25ClN4O — CID 137154638

IUPAC2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCNC1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-2-21(11-13-6-5-9-18-10-13)12-16-19-15-8-4-3-7-14(15)17(22)20-16;/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3,(H,19,20,22);1H
InChIKeyOKYHQPGRNFJEGE-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.17
Rot. Bonds5

About 2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride

2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride (PubChem CID 137154638) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride
PubChem CID137154638
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCNC1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-2-21(11-13-6-5-9-18-10-13)12-16-19-15-8-4-3-7-14(15)17(22)20-16;/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3,(H,19,20,22);1H
InChIKeyOKYHQPGRNFJEGE-UHFFFAOYSA-N
XLogP2.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 137168860
(5R,6S)-3-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 135754022
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 137036977
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808290
(3aS,7aS)-2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 135754026
2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 137154641
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
3-[methyl(piperidin-3-ylmethyl)amino]-2H-isoquinolin-1-one
CID 106642943
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
CID 137118075

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride?
The IUPAC name of 2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride (CID 137154638) is 2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride.
What is the SMILES notation for 2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride?
The canonical SMILES for 2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride is CCN(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCNC1.Cl.
What is the InChIKey of 2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride?
The InChIKey is OKYHQPGRNFJEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-2-21(11-13-6-5-9-18-10-13)12-16-19-15-8-4-3-7-14(15)17(22)20-16;/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3,(H,19,20,22);1H.
What are the key properties of 2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride?
2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(piperidin-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one;hydrochloride is sourced from PubChem (CID 137154638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).