N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C25H27N3O2 — CID 135687480

IUPACN-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESO=C(CC1CC2CCC1C2)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C25H27N3O2/c29-24(14-20-13-18-10-11-19(20)12-18)28(15-17-6-2-1-3-7-17)16-23-26-22-9-5-4-8-21(22)25(30)27-23/h1-9,18-20H,10-16H2,(H,26,27,30)
InChIKeyZBKDKALTUWZDSC-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.28
Rot. Bonds6

About N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135687480) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID135687480
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESO=C(CC1CC2CCC1C2)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C25H27N3O2/c29-24(14-20-13-18-10-11-19(20)12-18)28(15-17-6-2-1-3-7-17)16-23-26-22-9-5-4-8-21(22)25(30)27-23/h1-9,18-20H,10-16H2,(H,26,27,30)
InChIKeyZBKDKALTUWZDSC-UHFFFAOYSA-N
XLogP4.28
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide with MolForge

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Related Compounds

2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135830066
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136755739
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136755738
N-benzyl-2-(3-fluorophenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738129
2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one
CID 135996453
N-benzyl-2-(4-chlorophenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738118
N-benzyl-2-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135478220
N-benzyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135478145
1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 167985401
N-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 135767267
N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135738202
N-benzyl-4-(2,5-dioxopyrrolidin-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738108

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135687480) is N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is O=C(CC1CC2CCC1C2)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is ZBKDKALTUWZDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-24(14-20-13-18-10-11-19(20)12-18)28(15-17-6-2-1-3-7-17)16-23-26-22-9-5-4-8-21(22)25(30)27-23/h1-9,18-20H,10-16H2,(H,26,27,30).
What are the key properties of N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135687480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).