N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

C18H17BrN4O2 — CID 135501983

IUPACN-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H17BrN4O2/c1-23(11-17(24)21-15-9-5-3-7-13(15)19)10-16-20-14-8-4-2-6-12(14)18(25)22-16/h2-9H,10-11H2,1H3,(H,21,24)(H,20,22,25)
InChIKeyGGYGUODYFITNFZ-UHFFFAOYSA-N
MW401.26 g/mol
LogP2.76
Rot. Bonds5

About N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135501983) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
PubChem CID135501983
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC NameN-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H17BrN4O2/c1-23(11-17(24)21-15-9-5-3-7-13(15)19)10-16-20-14-8-4-2-6-12(14)18(25)22-16/h2-9H,10-11H2,1H3,(H,21,24)(H,20,22,25)
InChIKeyGGYGUODYFITNFZ-UHFFFAOYSA-N
XLogP2.76
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135501983) is N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is CN(CC(=O)Nc1ccccc1Br)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The InChIKey is GGYGUODYFITNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-23(11-17(24)21-15-9-5-3-7-13(15)19)10-16-20-14-8-4-2-6-12(14)18(25)22-16/h2-9H,10-11H2,1H3,(H,21,24)(H,20,22,25).
What are the key properties of N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 401.26 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135501983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).