2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one

C21H28N4O3 — CID 135928644

IUPAC2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one
SMILESO=C(CN(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCO1)N1CCCCC1
InChIInChI=1S/C21H28N4O3/c26-20(25-10-4-1-5-11-25)15-24(13-16-7-6-12-28-16)14-19-22-18-9-3-2-8-17(18)21(27)23-19/h2-3,8-9,16H,1,4-7,10-15H2,(H,22,23,27)
InChIKeyBCXANAQRYLTDRJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.92
Rot. Bonds6

About 2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one

2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135928644) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135928644
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one
SMILESO=C(CN(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCO1)N1CCCCC1
InChIInChI=1S/C21H28N4O3/c26-20(25-10-4-1-5-11-25)15-24(13-16-7-6-12-28-16)14-19-22-18-9-3-2-8-17(18)21(27)23-19/h2-3,8-9,16H,1,4-7,10-15H2,(H,22,23,27)
InChIKeyBCXANAQRYLTDRJ-UHFFFAOYSA-N
XLogP1.92
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]methyl]-3H-quinazolin-4-one
CID 135569895
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,2-diphenylacetamide
CID 136772433
2-[[1,3-benzoxazol-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135941862
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(2S)-oxolan-2-yl]methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 136877404
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenoxyacetamide
CID 135830344
N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135843421
2-[1,2-oxazol-5-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 95903622
5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 135616548
3-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135722369
2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 97160116
3,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-2-carboxamide
CID 135920659

Frequently Asked Questions

What is the IUPAC name of 2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one (CID 135928644) is 2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one is O=C(CN(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCO1)N1CCCCC1.
What is the InChIKey of 2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is BCXANAQRYLTDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-20(25-10-4-1-5-11-25)15-24(13-16-7-6-12-28-16)14-19-22-18-9-3-2-8-17(18)21(27)23-19/h2-3,8-9,16H,1,4-7,10-15H2,(H,22,23,27).
What are the key properties of 2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one?
2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 384.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135928644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).