N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide

C31H34N4O3 — CID 135894292

IUPACN,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide
SMILESCC(C)Oc1ccc2c(=O)[nH]c(N3CCC(Cc4ccccc4)(C(=O)NCc4ccccc4)CC3)nc2c1
InChIInChI=1S/C31H34N4O3/c1-22(2)38-25-13-14-26-27(19-25)33-30(34-28(26)36)35-17-15-31(16-18-35,20-23-9-5-3-6-10-23)29(37)32-21-24-11-7-4-8-12-24/h3-14,19,22H,15-18,20-21H2,1-2H3,(H,32,37)(H,33,34,36)
InChIKeyVXNVHWBVASCEEK-UHFFFAOYSA-N
MW510.64 g/mol
LogP4.86
Rot. Bonds8

About N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide

N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide (PubChem CID 135894292) has the molecular formula C31H34N4O3 and a molecular weight of 510.64 g/mol. Its IUPAC name is N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide
PubChem CID135894292
Molecular FormulaC31H34N4O3
Molecular Weight510.64 g/mol
Exact Mass510.26
IUPAC NameN,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide
SMILESCC(C)Oc1ccc2c(=O)[nH]c(N3CCC(Cc4ccccc4)(C(=O)NCc4ccccc4)CC3)nc2c1
InChIInChI=1S/C31H34N4O3/c1-22(2)38-25-13-14-26-27(19-25)33-30(34-28(26)36)35-17-15-31(16-18-35,20-23-9-5-3-6-10-23)29(37)32-21-24-11-7-4-8-12-24/h3-14,19,22H,15-18,20-21H2,1-2H3,(H,32,37)(H,33,34,36)
InChIKeyVXNVHWBVASCEEK-UHFFFAOYSA-N
XLogP4.86
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-benzyl-1-(6-methoxy-4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxylic acid
CID 137106063
4-benzyl-1-(7-methylsulfonyl-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxylic acid
CID 140551085
4-benzyl-1-[4-oxo-7-(trifluoromethyl)-3H-quinazolin-2-yl]piperidine-4-carboxylic acid
CID 140551089
4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide
CID 135923305
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;4-benzyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxylic acid
CID 158805663
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-benzyl-4-[(4-fluorophenyl)methyl]piperidine-4-carboxamide;1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-benzylpiperidine-4-carboxylic acid
CID 160650056
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-benzylpiperidine-4-carboxylic acid;1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-benzyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 160711366
N-benzyl-1-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-4-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 59327421
benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate
CID 23600667
(2-carbamoyloxolan-3-yl) 4-benzyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxylate
CID 136654213
(3-carbamoyl-5,7-difluoro-3-hydroxy-1,2-dihydroinden-2-yl) 4-benzyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxylate
CID 136594235
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356

Frequently Asked Questions

What is the IUPAC name of N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide (CID 135894292) is N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide is CC(C)Oc1ccc2c(=O)[nH]c(N3CCC(Cc4ccccc4)(C(=O)NCc4ccccc4)CC3)nc2c1.
What is the InChIKey of N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide?
The InChIKey is VXNVHWBVASCEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O3/c1-22(2)38-25-13-14-26-27(19-25)33-30(34-28(26)36)35-17-15-31(16-18-35,20-23-9-5-3-6-10-23)29(37)32-21-24-11-7-4-8-12-24/h3-14,19,22H,15-18,20-21H2,1-2H3,(H,32,37)(H,33,34,36).
What are the key properties of N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide?
N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dibenzyl-1-(4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 135894292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).