2-chloro-N-methylacetamide;4-methylquinazoline

C12H14ClN3O — CID 91539258

IUPAC2-chloro-N-methylacetamide;4-methylquinazoline
SMILESCNC(=O)CCl.Cc1ncnc2ccccc12
InChIInChI=1S/C9H8N2.C3H6ClNO/c1-7-8-4-2-3-5-9(8)11-6-10-7;1-5-3(6)2-4/h2-6H,1H3;2H2,1H3,(H,5,6)
InChIKeyXRJFYBLUHCEBAC-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.91
Rot. Bonds1

About 2-chloro-N-methylacetamide;4-methylquinazoline

2-chloro-N-methylacetamide;4-methylquinazoline (PubChem CID 91539258) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-N-methylacetamide;4-methylquinazoline.

Molecular Properties

Compound Name2-chloro-N-methylacetamide;4-methylquinazoline
PubChem CID91539258
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-chloro-N-methylacetamide;4-methylquinazoline
SMILESCNC(=O)CCl.Cc1ncnc2ccccc12
InChIInChI=1S/C9H8N2.C3H6ClNO/c1-7-8-4-2-3-5-9(8)11-6-10-7;1-5-3(6)2-4/h2-6H,1H3;2H2,1H3,(H,5,6)
InChIKeyXRJFYBLUHCEBAC-UHFFFAOYSA-N
XLogP1.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-methylacetamide;4-methylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methanol;4-methylquinazoline
CID 91108480
benzene;4-methylquinazoline
CID 174274782
fluoromethane;4-methylquinazoline
CID 91079443
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
N-butylquinazoline-4-carboxamide
CID 110702643
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436209
2-methyl-2-(quinazolin-4-ylamino)propanoic acid
CID 61261745
ethyl N-(2-quinazolin-4-yloxyacetyl)carbamate
CID 2630697
4-methyl-3-(quinazolin-4-ylamino)benzoic acid
CID 110434771

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methylacetamide;4-methylquinazoline?
The IUPAC name of 2-chloro-N-methylacetamide;4-methylquinazoline (CID 91539258) is 2-chloro-N-methylacetamide;4-methylquinazoline.
What is the SMILES notation for 2-chloro-N-methylacetamide;4-methylquinazoline?
The canonical SMILES for 2-chloro-N-methylacetamide;4-methylquinazoline is CNC(=O)CCl.Cc1ncnc2ccccc12.
What is the InChIKey of 2-chloro-N-methylacetamide;4-methylquinazoline?
The InChIKey is XRJFYBLUHCEBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C3H6ClNO/c1-7-8-4-2-3-5-9(8)11-6-10-7;1-5-3(6)2-4/h2-6H,1H3;2H2,1H3,(H,5,6).
What are the key properties of 2-chloro-N-methylacetamide;4-methylquinazoline?
2-chloro-N-methylacetamide;4-methylquinazoline has a molecular weight of 251.72 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylacetamide;4-methylquinazoline is sourced from PubChem (CID 91539258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).