[3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate

C22H25N3O4 — CID 23065469

IUPAC[3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate
SMILESCOC(=O)Oc1ccc2c(c1)NC(=O)N(C1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C22H25N3O4/c1-28-22(27)29-19-8-7-17-15-25(21(26)23-20(17)13-19)18-9-11-24(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,26)
InChIKeyPCFWKVNDWPFMMY-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.84
Rot. Bonds4

About [3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate

[3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate (PubChem CID 23065469) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is [3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate.

Molecular Properties

Compound Name[3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate
PubChem CID23065469
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name[3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate
SMILESCOC(=O)Oc1ccc2c(c1)NC(=O)N(C1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C22H25N3O4/c1-28-22(27)29-19-8-7-17-15-25(21(26)23-20(17)13-19)18-9-11-24(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,26)
InChIKeyPCFWKVNDWPFMMY-UHFFFAOYSA-N
XLogP3.84
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate with MolForge

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Related Compounds

methyl 2-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazolin-7-yl]oxy]acetate
CID 59767846
3-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-1,3-benzodiazepin-2-one;molecular hydrogen
CID 143494207
[1-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2,4-dihydroquinoxalin-6-yl] hydrogen carbonate
CID 68524753
N-(2-methyl-3-oxo-8-phenylmethoxy-4,5-dihydro-1H-2-benzazepin-4-yl)-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11978197
ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 145302295
2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,4-dihydroquinazoline-7-carboxamide
CID 58885003
3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 92968130
methyl 3-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzoate
CID 19423543
N-[(3R)-1-[(3-methoxyphenyl)methyl]-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11295093
1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one
CID 10687182
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231

Frequently Asked Questions

What is the IUPAC name of [3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate?
The IUPAC name of [3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate (CID 23065469) is [3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate.
What is the SMILES notation for [3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate?
The canonical SMILES for [3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate is COC(=O)Oc1ccc2c(c1)NC(=O)N(C1CCN(Cc3ccccc3)CC1)C2.
What is the InChIKey of [3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate?
The InChIKey is PCFWKVNDWPFMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-28-22(27)29-19-8-7-17-15-25(21(26)23-20(17)13-19)18-9-11-24(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,26).
What are the key properties of [3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate?
[3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate has a molecular weight of 395.46 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate is sourced from PubChem (CID 23065469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).