N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide

C14H14BrN5O2 — CID 137247508

IUPACN-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide
SMILESCC(=O)NC(=Nc1nc(C)c2cc(Br)ccc2n1)NC(C)=O
InChIInChI=1S/C14H14BrN5O2/c1-7-11-6-10(15)4-5-12(11)19-13(16-7)20-14(17-8(2)21)18-9(3)22/h4-6H,1-3H3,(H2,16,17,18,19,20,21,22)
InChIKeyMEWBQMSCTFBZNV-UHFFFAOYSA-N
MW364.20 g/mol
LogP1.96
Rot. Bonds1

About N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide

N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide (PubChem CID 137247508) has the molecular formula C14H14BrN5O2 and a molecular weight of 364.20 g/mol. Its IUPAC name is N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide
PubChem CID137247508
Molecular FormulaC14H14BrN5O2
Molecular Weight364.20 g/mol
Exact Mass363.03
IUPAC NameN-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide
SMILESCC(=O)NC(=Nc1nc(C)c2cc(Br)ccc2n1)NC(C)=O
InChIInChI=1S/C14H14BrN5O2/c1-7-11-6-10(15)4-5-12(11)19-13(16-7)20-14(17-8(2)21)18-9(3)22/h4-6H,1-3H3,(H2,16,17,18,19,20,21,22)
InChIKeyMEWBQMSCTFBZNV-UHFFFAOYSA-N
XLogP1.96
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
The IUPAC name of N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide (CID 137247508) is N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide.
What is the SMILES notation for N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
The canonical SMILES for N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide is CC(=O)NC(=Nc1nc(C)c2cc(Br)ccc2n1)NC(C)=O.
What is the InChIKey of N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
The InChIKey is MEWBQMSCTFBZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O2/c1-7-11-6-10(15)4-5-12(11)19-13(16-7)20-14(17-8(2)21)18-9(3)22/h4-6H,1-3H3,(H2,16,17,18,19,20,21,22).
What are the key properties of N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide has a molecular weight of 364.20 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-acetyl-N'-(6-bromo-4-methylquinazolin-2-yl)carbamimidoyl]acetamide is sourced from PubChem (CID 137247508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).