formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one

C20H28N4O4 — CID 154921655

IUPACformic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCC(C)N1CC(CN(C)Cc2nc3ccccc3c(=O)[nH]2)CCC1=O.O=CO
InChIInChI=1S/C19H26N4O2.CH2O2/c1-13(2)23-11-14(8-9-18(23)24)10-22(3)12-17-20-16-7-5-4-6-15(16)19(25)21-17;2-1-3/h4-7,13-14H,8-12H2,1-3H3,(H,20,21,25);1H,(H,2,3)
InChIKeyZIPCHRZBFLNADD-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.70
Rot. Bonds5

About formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one

formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 154921655) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Nameformic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID154921655
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Nameformic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCC(C)N1CC(CN(C)Cc2nc3ccccc3c(=O)[nH]2)CCC1=O.O=CO
InChIInChI=1S/C19H26N4O2.CH2O2/c1-13(2)23-11-14(8-9-18(23)24)10-22(3)12-17-20-16-7-5-4-6-15(16)19(25)21-17;2-1-3/h4-7,13-14H,8-12H2,1-3H3,(H,20,21,25);1H,(H,2,3)
InChIKeyZIPCHRZBFLNADD-UHFFFAOYSA-N
XLogP1.70
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
5-[[isoquinolin-5-ylmethyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138806817
2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
CID 154924279
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135891137
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
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-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138377763
(3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 136793456
2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135891186
2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one
CID 135718756

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one (CID 154921655) is formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one is CC(C)N1CC(CN(C)Cc2nc3ccccc3c(=O)[nH]2)CCC1=O.O=CO.
What is the InChIKey of formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is ZIPCHRZBFLNADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.CH2O2/c1-13(2)23-11-14(8-9-18(23)24)10-22(3)12-17-20-16-7-5-4-6-15(16)19(25)21-17;2-1-3/h4-7,13-14H,8-12H2,1-3H3,(H,20,21,25);1H,(H,2,3).
What are the key properties of formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one?
formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 388.47 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[[methyl-[(6-oxo-1-propan-2-ylpiperidin-3-yl)methyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 154921655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).